CID 16227186

2-chloro-n-[(3-fluoro-4-methylphenyl)methyl]acetamide

Structural Information

Molecular Formula
C10H11ClFNO
SMILES
CC1=C(C=C(C=C1)CNC(=O)CCl)F
InChI
InChI=1S/C10H11ClFNO/c1-7-2-3-8(4-9(7)12)6-13-10(14)5-11/h2-4H,5-6H2,1H3,(H,13,14)
InChIKey
MEWJBOHBUVLNFW-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05132 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05860 143.1
[M+Na]+ 238.04054 152.0
[M-H]- 214.04404 145.6
[M+NH4]+ 233.08514 162.7
[M+K]+ 254.01448 147.7
[M+H-H2O]+ 198.04858 137.3
[M+HCOO]- 260.04952 162.2
[M+CH3COO]- 274.06517 189.3
[M+Na-2H]- 236.02599 147.3
[M]+ 215.05077 144.3
[M]- 215.05187 144.3
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

No patent data available for this compound.