CID 264587

N-phenylbenzimidoyl chloride

Structural Information

Molecular Formula
C13H10ClN
SMILES
C1=CC=C(C=C1)C(=NC2=CC=CC=C2)Cl
InChI
InChI=1S/C13H10ClN/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChIKey
WFOFSUPMQDLYOM-UHFFFAOYSA-N
Compound name
N-phenylbenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

215.05017 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05745 145.4
[M+Na]+ 238.03939 153.0
[M-H]- 214.04289 153.0
[M+NH4]+ 233.08399 164.7
[M+K]+ 254.01333 148.0
[M+H-H2O]+ 198.04743 138.5
[M+HCOO]- 260.04837 167.2
[M+CH3COO]- 274.06402 189.7
[M+Na-2H]- 236.02484 153.1
[M]+ 215.04962 146.1
[M]- 215.05072 146.1
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