CID 22913480

1,1,1-trifluoro-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C4H7F3O2
SMILES
COCC(C(F)(F)F)O
InChI
InChI=1S/C4H7F3O2/c1-9-2-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKey
SLSXKESHZUSAHH-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

144.03981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.047086 123.7
[M+Na]+ 167.029028 131.6
[M-H]- 143.032534 119.0
[M+NH4]+ 162.073633 144.5
[M+K]+ 183.002968 131.6
[M+H-H2O]+ 127.037070 117.5
[M+HCOO]- 189.038011 141.4
[M+CH3COO]- 203.053661 171.2
[M+Na-2H]- 165.014476 129.0
[M]+ 144.03926142 120.2
[M]- 144.04035858 120.2
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