CID 2779068

135859-36-8

Structural Information

Molecular Formula
C4H7F3O2
SMILES
C(CO)[C@H](C(F)(F)F)O
InChI
InChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1
InChIKey
SCLIIHMYYAHRGK-GSVOUGTGSA-N
Compound name
(3R)-4,4,4-trifluorobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

84
Patents

144.03981 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04709 124.4
[M+Na]+ 167.02903 131.9
[M-H]- 143.03253 118.3
[M+NH4]+ 162.07363 144.4
[M+K]+ 183.00297 130.9
[M+H-H2O]+ 127.03707 118.3
[M+HCOO]- 189.03801 140.5
[M+CH3COO]- 203.05366 168.5
[M+Na-2H]- 165.01448 129.1
[M]+ 144.03926 118.9
[M]- 144.04036 118.9
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