CID 266761

2-chloro-n-phenylbutanamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CCC(C(=O)NC1=CC=CC=C1)Cl
InChI
InChI=1S/C10H12ClNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13)
InChIKey
OQEBAOZVEXPDGI-UHFFFAOYSA-N
Compound name
2-chloro-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

197.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 141.9
[M+Na]+ 220.049968 148.7
[M-H]- 196.053474 145.2
[M+NH4]+ 215.094573 161.7
[M+K]+ 236.023908 145.2
[M+H-H2O]+ 180.058010 136.7
[M+HCOO]- 242.058951 161.1
[M+CH3COO]- 256.074601 185.1
[M+Na-2H]- 218.035416 146.9
[M]+ 197.06020142 142.9
[M]- 197.06129858 142.9
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