CID 2782615

90999-87-4

Structural Information

Molecular Formula
C5H5F7O
SMILES
C(CO)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2
InChIKey
KKVIDVONCZYZLR-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

214.02286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.030136 135.7
[M+Na]+ 237.012078 144.5
[M-H]- 213.015584 126.3
[M+NH4]+ 232.056683 153.4
[M+K]+ 252.986018 142.5
[M+H-H2O]+ 197.020120 126.8
[M+HCOO]- 259.021061 146.3
[M+CH3COO]- 273.036711 183.8
[M+Na-2H]- 234.997526 140.8
[M]+ 214.02231142 124.9
[M]- 214.02340858 124.9
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