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

34
Patents

144.03981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04709 123.7
[M+Na]+ 167.02903 131.6
[M-H]- 143.03253 119.0
[M+NH4]+ 162.07363 144.5
[M+K]+ 183.00297 131.6
[M+H-H2O]+ 127.03707 117.5
[M+HCOO]- 189.03801 141.4
[M+CH3COO]- 203.05366 171.2
[M+Na-2H]- 165.01448 129.0
[M]+ 144.03926 120.2
[M]- 144.04036 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