CID 67985

1,3-difluoro-2-propanol

Structural Information

Molecular Formula
C3H6F2O
SMILES
C(C(CF)O)F
InChI
InChI=1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
PVDLUGWWIOGCNH-UHFFFAOYSA-N
Compound name
1,3-difluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3255
Patents

96.03867 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.045946 117.4
[M+Na]+ 119.02789 126.1
[M+NH4]+ 114.07249 124.3
[M+K]+ 135.00183 121.6
[M-H]- 95.031394 113.8
[M+Na-2H]- 117.01334 120.2
[M]+ 96.038121 117.2
[M]- 96.039219 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe