CID 16684779

Aluminum phthalocyanine hydroxide

Structural Information

Molecular Formula
C32H16AlN8
SMILES
C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Al]N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19
InChI
InChI=1S/C32H16N8.Al/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;/q-2;+2
InChIKey
NQJLMGFNYQDEPX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

539.13135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.13863 219.3
[M+Na]+ 562.12057 239.6
[M+NH4]+ 557.16517 227.2
[M+K]+ 578.09451 234.9
[M-H]- 538.12407 222.4
[M+Na-2H]- 560.10602 220.3
[M]+ 539.13080 223.5
[M]- 539.13190 223.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe