CID 3042995

Brn 0917159

Structural Information

Molecular Formula
C16H13ClN2
SMILES
C1=CC=C(C=C1)C2=NC=CN2CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2
InChIKey
UWOPOTLAMWFICY-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07672 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08400 160.9
[M+Na]+ 291.06594 178.6
[M+NH4]+ 286.11054 170.8
[M+K]+ 307.03988 170.1
[M-H]- 267.06944 167.3
[M+Na-2H]- 289.05139 173.0
[M]+ 268.07617 165.8
[M]- 268.07727 165.8
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

No patent data available for this compound.