CID 26941382

(2r)-4,4,4-trifluorobutan-2-ol

Structural Information

Molecular Formula
C4H7F3O
SMILES
C[C@H](CC(F)(F)F)O
InChI
InChI=1S/C4H7F3O/c1-3(8)2-4(5,6)7/h3,8H,2H2,1H3/t3-/m1/s1
InChIKey
MZYWEUWEIXJBPQ-GSVOUGTGSA-N
Compound name
(2R)-4,4,4-trifluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

128.0449 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.052176 120.6
[M+Na]+ 151.034118 128.6
[M-H]- 127.037624 116.1
[M+NH4]+ 146.078723 142.1
[M+K]+ 167.008058 128.1
[M+H-H2O]+ 111.042160 114.7
[M+HCOO]- 173.043101 138.1
[M+CH3COO]- 187.058751 169.3
[M+Na-2H]- 149.019566 125.9
[M]+ 128.04435142 115.7
[M]- 128.04544858 115.7
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