CID 15255550

144850-56-6

Structural Information

Molecular Formula
C6H7BrF4O2
SMILES
CCOC(=O)CC(C(F)(F)Br)(F)F
InChI
InChI=1S/C6H7BrF4O2/c1-2-13-4(12)3-5(8,9)6(7,10)11/h2-3H2,1H3
InChIKey
DFKVZBJIJWWPKK-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3,3,4,4-tetrafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.95654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96382 150.1
[M+Na]+ 288.94576 161.7
[M-H]- 264.94926 148.5
[M+NH4]+ 283.99036 170.1
[M+K]+ 304.91970 151.3
[M+H-H2O]+ 248.95380 148.1
[M+HCOO]- 310.95474 164.0
[M+CH3COO]- 324.97039 192.2
[M+Na-2H]- 286.93121 155.5
[M]+ 265.95599 164.9
[M]- 265.95709 164.9
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

No patent data available for this compound.