CID 3314386

3-chloro-n-methyl-n-phenylpropanamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CN(C1=CC=CC=C1)C(=O)CCCl
InChI
InChI=1S/C10H12ClNO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
ZOZNUSUQHMUWGY-UHFFFAOYSA-N
Compound name
3-chloro-N-methyl-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

197.06075 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 141.5
[M+Na]+ 220.049968 148.7
[M-H]- 196.053474 146.3
[M+NH4]+ 215.094573 162.0
[M+K]+ 236.023908 146.2
[M+H-H2O]+ 180.058010 136.0
[M+HCOO]- 242.058951 162.2
[M+CH3COO]- 256.074601 187.8
[M+Na-2H]- 218.035416 147.0
[M]+ 197.06020142 144.4
[M]- 197.06129858 144.4
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