CID 2118132

2-chloro-n-(3,3-diphenylpropyl)acetamide

Structural Information

Molecular Formula
C17H18ClNO
SMILES
C1=CC=C(C=C1)C(CCNC(=O)CCl)C2=CC=CC=C2
InChI
InChI=1S/C17H18ClNO/c18-13-17(20)19-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKey
DSZCDKTVMBGLGD-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,3-diphenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

287.1077 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.114976 167.4
[M+Na]+ 310.096918 172.4
[M-H]- 286.100424 173.0
[M+NH4]+ 305.141523 182.9
[M+K]+ 326.070858 166.6
[M+H-H2O]+ 270.104960 159.9
[M+HCOO]- 332.105901 185.6
[M+CH3COO]- 346.121551 201.8
[M+Na-2H]- 308.082366 171.2
[M]+ 287.10715142 168.5
[M]- 287.10824858 168.5
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

patents stripe