CID 2783244

3-bromo-2,4,5,6-tetrafluorobenzoyl chloride

Structural Information

Molecular Formula
C7BrClF4O
SMILES
C1(=C(C(=C(C(=C1F)Br)F)F)F)C(=O)Cl
InChI
InChI=1S/C7BrClF4O/c8-2-3(10)1(7(9)14)4(11)6(13)5(2)12
InChIKey
FHHUFCXIDZNVQW-UHFFFAOYSA-N
Compound name
3-bromo-2,4,5,6-tetrafluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.87573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.88301 142.8
[M+Na]+ 312.86495 159.5
[M-H]- 288.86845 145.5
[M+NH4]+ 307.90955 163.8
[M+K]+ 328.83889 145.6
[M+H-H2O]+ 272.87299 141.3
[M+HCOO]- 334.87393 156.4
[M+CH3COO]- 348.88958 197.5
[M+Na-2H]- 310.85040 145.7
[M]+ 289.87518 159.6
[M]- 289.87628 159.6
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