CID 345165

O-nitrosobenzoic acid

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)N=O
InChI
InChI=1S/C7H5NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)
InChIKey
ZGKDNJHGCZXEGY-UHFFFAOYSA-N
Compound name
2-nitrosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

205
Patents

151.02695 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 125.2
[M+Na]+ 174.01617 133.7
[M-H]- 150.01967 129.5
[M+NH4]+ 169.06077 146.0
[M+K]+ 189.99011 133.1
[M+H-H2O]+ 134.02421 119.5
[M+HCOO]- 196.02515 151.6
[M+CH3COO]- 210.04080 176.4
[M+Na-2H]- 172.00162 132.9
[M]+ 151.02640 126.3
[M]- 151.02750 126.3
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.