CID 116935

70911-39-6

Structural Information

Molecular Formula
C12H12N3O3P
SMILES
C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N3O3P/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18/h1-8H,13H2,(H2,16,17,18)
InChIKey
QDNJLQCOPDIKLE-UHFFFAOYSA-N
Compound name
[3-[(4-aminophenyl)diazenyl]phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0616 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06888 159.0
[M+Na]+ 300.05082 165.6
[M-H]- 276.05432 164.6
[M+NH4]+ 295.09542 174.1
[M+K]+ 316.02476 163.0
[M+H-H2O]+ 260.05886 148.8
[M+HCOO]- 322.05980 190.7
[M+CH3COO]- 336.07545 204.3
[M+Na-2H]- 298.03627 163.8
[M]+ 277.06105 158.2
[M]- 277.06215 158.2
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

No patent data available for this compound.