CID 11127005

105457-90-7

Structural Information

Molecular Formula
C8H4ClFO2
SMILES
C1=CC(=CC=C1C(=O)C(=O)Cl)F
InChI
InChI=1S/C8H4ClFO2/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H
InChIKey
TWYJUNJPVOPIIA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-oxoacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.98839 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99567 130.0
[M+Na]+ 208.97761 139.7
[M-H]- 184.98111 132.8
[M+NH4]+ 204.02221 150.6
[M+K]+ 224.95155 136.4
[M+H-H2O]+ 168.98565 124.9
[M+HCOO]- 230.98659 148.3
[M+CH3COO]- 245.00224 179.9
[M+Na-2H]- 206.96306 134.8
[M]+ 185.98784 131.2
[M]- 185.98894 131.2
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