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

281
Patents

114.02925 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03653 116.4
[M+Na]+ 137.01847 124.0
[M-H]- 113.02197 111.7
[M+NH4]+ 132.06307 138.1
[M+K]+ 152.99241 123.8
[M+H-H2O]+ 97.026510 109.9
[M+HCOO]- 159.02745 134.7
[M+CH3COO]- 173.04310 167.5
[M+Na-2H]- 135.00392 120.3
[M]+ 114.02870 111.0
[M]- 114.02980 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