CID 224481

2-chloro-n,n-diphenyl-acetamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C14H12ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
GRIXINIGTYIHSN-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

112
Patents

245.06075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.4
[M+Na]+ 268.04997 160.1
[M-H]- 244.05347 160.9
[M+NH4]+ 263.09457 171.3
[M+K]+ 284.02391 156.0
[M+H-H2O]+ 228.05801 146.2
[M+HCOO]- 290.05895 174.1
[M+CH3COO]- 304.07460 195.5
[M+Na-2H]- 266.03542 159.3
[M]+ 245.06020 155.3
[M]- 245.06130 155.3
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