CID 7290563

N-phenylbenzenecarbohydrazonoyl chloride

Structural Information

Molecular Formula
C13H11ClN2
SMILES
C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2)/Cl
InChI
InChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H/b16-13-
InChIKey
IUSCIWAUZVKPPY-SSZFMOIBSA-N
Compound name
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12
Patents

230.06108 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06836 149.6
[M+Na]+ 253.05030 156.3
[M-H]- 229.05380 157.1
[M+NH4]+ 248.09490 167.9
[M+K]+ 269.02424 151.3
[M+H-H2O]+ 213.05834 142.3
[M+HCOO]- 275.05928 172.5
[M+CH3COO]- 289.07493 194.5
[M+Na-2H]- 251.03575 157.6
[M]+ 230.06053 149.7
[M]- 230.06163 149.7
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