CID 589419

399-35-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

187.02002 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe