CID 589188

N-(3-chloro-4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
CC(=O)NC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C8H7ClFNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12)
InChIKey
ALPHMTFVUKDBGJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

187.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02730 133.6
[M+Na]+ 210.00924 143.4
[M-H]- 186.01274 136.5
[M+NH4]+ 205.05384 154.4
[M+K]+ 225.98318 139.6
[M+H-H2O]+ 170.01728 128.2
[M+HCOO]- 232.01822 153.4
[M+CH3COO]- 246.03387 183.2
[M+Na-2H]- 207.99469 139.0
[M]+ 187.01947 134.1
[M]- 187.02057 134.1
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