CID 2734028

2,3,5,6-tetrafluorobenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

211.96521 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe