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]+ 274.09932 162.6
[M+Na]+ 296.08126 168.2
[M-H]- 272.08476 169.9
[M+NH4]+ 291.12586 179.3
[M+K]+ 312.05520 164.1
[M+H-H2O]+ 256.08930 155.2
[M+HCOO]- 318.09024 181.7
[M+CH3COO]- 332.10589 202.3
[M+Na-2H]- 294.06671 166.2
[M]+ 273.09149 164.7
[M]- 273.09259 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.