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

25
Patents

197.06075 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.5
[M+Na]+ 220.04997 148.7
[M-H]- 196.05347 146.3
[M+NH4]+ 215.09457 162.0
[M+K]+ 236.02391 146.2
[M+H-H2O]+ 180.05801 136.0
[M+HCOO]- 242.05895 162.2
[M+CH3COO]- 256.07460 187.8
[M+Na-2H]- 218.03542 147.0
[M]+ 197.06020 144.4
[M]- 197.06130 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