CID 15544180

4-bromo-3,3,4,4-tetrafluorobutanoic acid

Structural Information

Molecular Formula
C4H3BrF4O2
SMILES
C(C(=O)O)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H3BrF4O2/c5-4(8,9)3(6,7)1-2(10)11/h1H2,(H,10,11)
InChIKey
ZURMDHYHHVXUPA-UHFFFAOYSA-N
Compound name
4-bromo-3,3,4,4-tetrafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

237.92525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.93253 141.3
[M+Na]+ 260.91447 153.2
[M-H]- 236.91797 138.6
[M+NH4]+ 255.95907 161.6
[M+K]+ 276.88841 142.3
[M+H-H2O]+ 220.92251 139.8
[M+HCOO]- 282.92345 154.4
[M+CH3COO]- 296.93910 184.7
[M+Na-2H]- 258.89992 147.2
[M]+ 237.92470 153.7
[M]- 237.92580 153.7
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