CID 520941

3-bromobenzhydrazide

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC(=CC(=C1)Br)C(=O)NN
InChI
InChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey
BNAQRAZIPAHWAR-UHFFFAOYSA-N
Compound name
3-bromobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

310
Patents

213.97418 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 136.1
[M+Na]+ 236.963398 146.4
[M-H]- 212.966904 142.0
[M+NH4]+ 232.008003 157.2
[M+K]+ 252.937338 135.2
[M+H-H2O]+ 196.971440 135.0
[M+HCOO]- 258.972381 159.2
[M+CH3COO]- 272.988031 187.1
[M+Na-2H]- 234.948846 143.6
[M]+ 213.97363142 151.6
[M]- 213.97472858 151.6
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