CID 3006162

4-azidosalicylic acid

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)O
InChI
InChI=1S/C7H5N3O3/c8-10-9-4-1-2-5(7(12)13)6(11)3-4/h1-3,11H,(H,12,13)
InChIKey
NLPWSMKACWGINL-UHFFFAOYSA-N
Compound name
4-azido-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

10935
Patents

179.0331 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04038 130.9
[M+Na]+ 202.02232 138.5
[M-H]- 178.02582 135.3
[M+NH4]+ 197.06692 149.7
[M+K]+ 217.99626 132.4
[M+H-H2O]+ 162.03036 129.4
[M+HCOO]- 224.03130 159.8
[M+CH3COO]- 238.04695 177.7
[M+Na-2H]- 200.00777 140.3
[M]+ 179.03255 127.9
[M]- 179.03365 127.9
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