CID 2305162

2-(2-chloro-1h-1,3-benzodiazol-1-yl)-1-phenylethan-1-one

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C15H11ClN2O/c16-15-17-12-8-4-5-9-13(12)18(15)10-14(19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
NKEGAEKDQQDLAP-UHFFFAOYSA-N
Compound name
2-(2-chlorobenzimidazol-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.063276 158.7
[M+Na]+ 293.045218 169.8
[M-H]- 269.048724 164.2
[M+NH4]+ 288.089823 176.0
[M+K]+ 309.019158 163.3
[M+H-H2O]+ 253.053260 150.4
[M+HCOO]- 315.054201 176.8
[M+CH3COO]- 329.069851 171.5
[M+Na-2H]- 291.030666 164.3
[M]+ 270.05545142 163.1
[M]- 270.05654858 163.1
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