CID 82007903

2-bromo-5-hydrazinylbenzoic acid hydrochloride

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1=CC(=C(C=C1NN)C(=O)O)Br
InChI
InChI=1S/C7H7BrN2O2/c8-6-2-1-4(10-9)3-5(6)7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKey
DFJCKNRTRUXHGJ-UHFFFAOYSA-N
Compound name
2-bromo-5-hydrazinylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.96909 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 138.8
[M+Na]+ 252.958308 149.2
[M-H]- 228.961814 143.5
[M+NH4]+ 248.002913 158.7
[M+K]+ 268.932248 137.6
[M+H-H2O]+ 212.966350 137.6
[M+HCOO]- 274.967291 160.6
[M+CH3COO]- 288.982941 188.6
[M+Na-2H]- 250.943756 145.0
[M]+ 229.96854142 154.2
[M]- 229.96963858 154.2
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

patents stripe