CID 64334688

2044722-86-1

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
C1=CC(=C(C=C1F)Cl)C(=O)CN
InChI
InChI=1S/C8H7ClFNO/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3H,4,11H2
InChIKey
PQIFWELADCHBGE-UHFFFAOYSA-N
Compound name
2-amino-1-(2-chloro-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02002 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02730 134.0
[M+Na]+ 210.00924 143.7
[M-H]- 186.01274 136.3
[M+NH4]+ 205.05384 154.4
[M+K]+ 225.98318 139.5
[M+H-H2O]+ 170.01728 128.7
[M+HCOO]- 232.01822 153.1
[M+CH3COO]- 246.03387 183.2
[M+Na-2H]- 207.99469 138.3
[M]+ 187.01947 133.6
[M]- 187.02057 133.6
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.