CID 101460

2-bromobenzohydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

370
Patents

213.97418 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 136.1
[M+Na]+ 236.96340 146.4
[M-H]- 212.96690 142.0
[M+NH4]+ 232.00800 157.2
[M+K]+ 252.93734 135.2
[M+H-H2O]+ 196.97144 135.0
[M+HCOO]- 258.97238 159.2
[M+CH3COO]- 272.98803 187.1
[M+Na-2H]- 234.94885 143.6
[M]+ 213.97363 151.6
[M]- 213.97473 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