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

26
Patents

214.02286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03014 135.7
[M+Na]+ 237.01208 144.5
[M-H]- 213.01558 126.3
[M+NH4]+ 232.05668 153.4
[M+K]+ 252.98602 142.5
[M+H-H2O]+ 197.02012 126.8
[M+HCOO]- 259.02106 146.3
[M+CH3COO]- 273.03671 183.8
[M+Na-2H]- 234.99753 140.8
[M]+ 214.02231 124.9
[M]- 214.02341 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