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 178.7
[M+Na]+ 562.12057 188.4
[M-H]- 538.12407 178.2
[M+NH4]+ 557.16517 185.1
[M+K]+ 578.09451 183.6
[M+H-H2O]+ 522.12861 171.9
[M+HCOO]- 584.12955 186.7
[M+CH3COO]- 598.14520 184.6
[M+Na-2H]- 560.10602 180.0
[M]+ 539.13080 185.7
[M]- 539.13190 185.7
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