CID 2453623

63488-87-9

Structural Information

Molecular Formula
C16H16ClNO
SMILES
CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C16H16ClNO/c1-18(15(19)12-17)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKey
BQEVQASRAQBROG-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.099316 162.6
[M+Na]+ 296.081258 168.2
[M-H]- 272.084764 169.9
[M+NH4]+ 291.125863 179.3
[M+K]+ 312.055198 164.1
[M+H-H2O]+ 256.089300 155.2
[M+HCOO]- 318.090241 181.7
[M+CH3COO]- 332.105891 202.3
[M+Na-2H]- 294.066706 166.2
[M]+ 273.09149142 164.7
[M]- 273.09258858 164.7
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.