CID 2736384

2-bromo-2,3,3,3-tetrafluoropropanoyl chloride

Structural Information

Molecular Formula
C3BrClF4O
SMILES
C(=O)(C(C(F)(F)F)(F)Br)Cl
InChI
InChI=1S/C3BrClF4O/c4-2(6,1(5)10)3(7,8)9
InChIKey
LYEISECDEKRQHL-UHFFFAOYSA-N
Compound name
2-bromo-2,3,3,3-tetrafluoropropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.87572 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.88300 136.1
[M+Na]+ 264.86494 150.0
[M-H]- 240.86844 135.1
[M+NH4]+ 259.90954 158.0
[M+K]+ 280.83888 137.7
[M+H-H2O]+ 224.87298 135.7
[M+HCOO]- 286.87392 146.6
[M+CH3COO]- 300.88957 185.6
[M+Na-2H]- 262.85039 142.9
[M]+ 241.87517 150.4
[M]- 241.87627 150.4
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