PubChemLite - Tin(iv) phthalocyanine dichloride (C32H16Cl2N8Sn)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Sn](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)(Cl)Cl

InChI

InChI=1S/C32H16N8.2ClH.Sn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;/h1-16H;2*1H;/q-2;;;+4/p-2

InChIKey

BBRNKSXHHJRNHK-UHFFFAOYSA-L

Compound name

38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	702.99698	239.5
[M+Na]+	724.97892	260.9
[M+NH4]+	720.02352	248.4
[M+K]+	740.95286	252.5
[M-H]-	700.98242	242.6
[M+Na-2H]-	722.96437	240.4
[M]+	701.98915	244.4
[M]-	701.99025	244.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

702.99698

239.5

[M+Na]+

724.97892

260.9

[M+NH4]+

720.02352

248.4

[M+K]+

740.95286

252.5

[M-H]-

700.98242

242.6

[M+Na-2H]-

722.96437

240.4

[M]+

701.98915

244.4

[M]-

701.99025

244.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tin(iv) phthalocyanine dichloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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