CID 2733689

2,3,4,5-tetrafluorobenzoyl chloride

Structural Information

Molecular Formula
C7HClF4O
SMILES
C1=C(C(=C(C(=C1F)F)F)F)C(=O)Cl
InChI
InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKey
XWCKIXLTBNGIHV-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

630
Patents

211.96521 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97249 128.7
[M+Na]+ 234.95443 141.7
[M-H]- 210.95793 128.4
[M+NH4]+ 229.99903 149.0
[M+K]+ 250.92837 137.0
[M+H-H2O]+ 194.96247 121.5
[M+HCOO]- 256.96341 144.6
[M+CH3COO]- 270.97906 186.9
[M+Na-2H]- 232.93988 131.5
[M]+ 211.96466 126.9
[M]- 211.96576 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe