CID 132341988

2-chloro-1-[3-(2-chloroacetyl)-4-fluorophenyl]ethan-1-one

Structural Information

Molecular Formula
C10H7Cl2FO2
SMILES
C1=CC(=C(C=C1C(=O)CCl)C(=O)CCl)F
InChI
InChI=1S/C10H7Cl2FO2/c11-4-9(14)6-1-2-8(13)7(3-6)10(15)5-12/h1-3H,4-5H2
InChIKey
GNAPEEGPLMRUPO-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(2-chloroacetyl)-4-fluorophenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98071 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98799 143.6
[M+Na]+ 270.96993 153.8
[M-H]- 246.97343 145.8
[M+NH4]+ 266.01453 162.5
[M+K]+ 286.94387 148.5
[M+H-H2O]+ 230.97797 139.2
[M+HCOO]- 292.97891 156.3
[M+CH3COO]- 306.99456 191.7
[M+Na-2H]- 268.95538 146.1
[M]+ 247.98016 147.1
[M]- 247.98126 147.1
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

No patent data available for this compound.