CID 9570440

4-bromobenzoyl chloride phenylhydrazone

Structural Information

Molecular Formula
C13H10BrClN2
SMILES
C1=CC=C(C=C1)N/N=C(/C2=CC=C(C=C2)Br)\Cl
InChI
InChI=1S/C13H10BrClN2/c14-11-8-6-10(7-9-11)13(15)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13-
InChIKey
XQAFGQJURJIHJD-LGMDPLHJSA-N
Compound name
(1Z)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.9716 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.97888 159.1
[M+Na]+ 330.96082 169.6
[M-H]- 306.96432 168.9
[M+NH4]+ 326.00542 178.1
[M+K]+ 346.93476 155.8
[M+H-H2O]+ 290.96886 157.7
[M+HCOO]- 352.96980 179.2
[M+CH3COO]- 366.98545 204.5
[M+Na-2H]- 328.94627 167.1
[M]+ 307.97105 177.9
[M]- 307.97215 177.9
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

No patent data available for this compound.