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

22
Patents

128.0449 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05218 120.6
[M+Na]+ 151.03412 128.6
[M-H]- 127.03762 116.1
[M+NH4]+ 146.07872 142.1
[M+K]+ 167.00806 128.1
[M+H-H2O]+ 111.04216 114.7
[M+HCOO]- 173.04310 138.1
[M+CH3COO]- 187.05875 169.3
[M+Na-2H]- 149.01957 125.9
[M]+ 128.04435 115.7
[M]- 128.04545 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