CID 345165

2-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

218
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

literature stripe

Patent stripe

patents stripe