CID 22645223

2,3,3-trifluoropropan-1-ol

Structural Information

Molecular Formula
C3H5F3O
SMILES
C(C(C(F)F)F)O
InChI
InChI=1S/C3H5F3O/c4-2(1-7)3(5)6/h2-3,7H,1H2
InChIKey
IIDKPKQSYZDPHS-UHFFFAOYSA-N
Compound name
2,3,3-trifluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

114.02925 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.036526 116.4
[M+Na]+ 137.018468 124.0
[M-H]- 113.021974 111.7
[M+NH4]+ 132.063073 138.1
[M+K]+ 152.992408 123.8
[M+H-H2O]+ 97.026510 109.9
[M+HCOO]- 159.027451 134.7
[M+CH3COO]- 173.043101 167.5
[M+Na-2H]- 135.003916 120.3
[M]+ 114.02870142 111.0
[M]- 114.02979858 111.0
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