CID 6807

3-nitrosalicylic acid

Structural Information

Molecular Formula
C7H5NO5
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
InChI
InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)
InChIKey
WWWFHFGUOIQNJC-UHFFFAOYSA-N
Compound name
2-hydroxy-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1787
Patents

183.01677 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02405 131.0
[M+Na]+ 206.00599 138.8
[M-H]- 182.00949 132.8
[M+NH4]+ 201.05059 148.7
[M+K]+ 221.97993 133.3
[M+H-H2O]+ 166.01403 130.5
[M+HCOO]- 228.01497 154.3
[M+CH3COO]- 242.03062 169.3
[M+Na-2H]- 203.99144 137.9
[M]+ 183.01622 129.0
[M]- 183.01732 129.0
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.