CID 2317158

N-benzhydryl-2-chloroacetamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C15H14ClNO/c16-11-14(18)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,18)
InChIKey
YNIDNLNUYCFFTA-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

259.0764 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 158.1
[M+Na]+ 282.06562 164.0
[M-H]- 258.06912 164.1
[M+NH4]+ 277.11022 174.8
[M+K]+ 298.03956 158.7
[M+H-H2O]+ 242.07366 151.1
[M+HCOO]- 304.07460 177.0
[M+CH3COO]- 318.09025 195.9
[M+Na-2H]- 280.05107 163.0
[M]+ 259.07585 158.5
[M]- 259.07695 158.5
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