CID 2388931

2-chloro-n-(3-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
C1=CC(=CC(=C1)F)NC(=O)CCl
InChI
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
InChIKey
BYGYGNMGANLDQP-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

187.02002 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.027296 134.0
[M+Na]+ 210.009238 142.9
[M-H]- 186.012744 136.6
[M+NH4]+ 205.053843 154.5
[M+K]+ 225.983178 139.0
[M+H-H2O]+ 170.017280 128.4
[M+HCOO]- 232.018221 153.8
[M+CH3COO]- 246.033871 182.1
[M+Na-2H]- 207.994686 140.1
[M]+ 187.01947142 134.2
[M]- 187.02056858 134.2
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