CID 5325560

2-azidobenzoic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC=C(C(=C1)C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C7H5N3O2/c8-10-9-6-4-2-1-3-5(6)7(11)12/h1-4H,(H,11,12)
InChIKey
JCBWQNLTYXTHBZ-UHFFFAOYSA-N
Compound name
2-azidobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

560
Patents

163.03818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 128.3
[M+Na]+ 186.027398 135.5
[M-H]- 162.030904 133.7
[M+NH4]+ 181.072003 148.2
[M+K]+ 202.001338 129.8
[M+H-H2O]+ 146.035440 126.5
[M+HCOO]- 208.036381 158.4
[M+CH3COO]- 222.052031 177.3
[M+Na-2H]- 184.012846 138.6
[M]+ 163.03763142 125.4
[M]- 163.03872858 125.4
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