CID 52256

N'-benzoyl-3-bromobenzohydrazide

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H11BrN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-9H,(H,16,18)(H,17,19)
InChIKey
PUNMNEKYOYAYSP-UHFFFAOYSA-N
Compound name
N'-benzoyl-3-bromobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

318.0004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 163.0
[M+Na]+ 340.98962 171.3
[M-H]- 316.99312 171.7
[M+NH4]+ 336.03422 179.9
[M+K]+ 356.96356 159.6
[M+H-H2O]+ 300.99766 160.5
[M+HCOO]- 362.99860 185.4
[M+CH3COO]- 377.01425 204.2
[M+Na-2H]- 338.97507 169.3
[M]+ 317.99985 179.5
[M]- 318.00095 179.5
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