CID 5463764

3,5-dichloro-2,4-difluorobenzoyl fluoride

Structural Information

Molecular Formula
C7HCl2F3O
SMILES
C1=C(C(=C(C(=C1Cl)F)Cl)F)C(=O)F
InChI
InChI=1S/C7HCl2F3O/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1H
InChIKey
VWNMVYACOKCDLR-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4-difluorobenzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

227.93565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.94293 130.8
[M+Na]+ 250.92487 144.0
[M-H]- 226.92837 131.2
[M+NH4]+ 245.96947 151.0
[M+K]+ 266.89881 138.3
[M+H-H2O]+ 210.93291 125.5
[M+HCOO]- 272.93385 142.8
[M+CH3COO]- 286.94950 188.7
[M+Na-2H]- 248.91032 133.6
[M]+ 227.93510 131.4
[M]- 227.93620 131.4
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