CID 170835728

3-diazo-4-hydroxybenzoate

Structural Information

Molecular Formula
C7H5N2O3
SMILES
C1=CC(=O)C(=[N+]=N)C=C1C(=O)O
InChI
InChI=1S/C7H4N2O3/c8-9-5-3-4(7(11)12)1-2-6(5)10/h1-3,8H/p+1
InChIKey
ITTRBYGCGWWMSD-UHFFFAOYSA-O
Compound name
(3-carboxy-6-oxocyclohexa-2,4-dien-1-ylidene)-iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.03001 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03729 128.0
[M+Na]+ 188.01923 136.1
[M-H]- 164.02273 132.6
[M+NH4]+ 183.06383 147.7
[M+K]+ 203.99317 128.9
[M+H-H2O]+ 148.02727 125.1
[M+HCOO]- 210.02821 154.0
[M+CH3COO]- 224.04386 172.9
[M+Na-2H]- 186.00468 136.7
[M]+ 165.02946 124.4
[M]- 165.03056 124.4
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.