CID 17775974

1,1-difluoropropan-2-ol

Structural Information

Molecular Formula
C3H6F2O
SMILES
CC(C(F)F)O
InChI
InChI=1S/C3H6F2O/c1-2(6)3(4)5/h2-3,6H,1H3
InChIKey
AKVKBTWZKYWPNV-UHFFFAOYSA-N
Compound name
1,1-difluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

96.03867 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.045946 113.9
[M+Na]+ 119.02789 121.5
[M-H]- 95.031394 110.7
[M+NH4]+ 114.07249 136.6
[M+K]+ 135.00183 121.8
[M+H-H2O]+ 79.035930 108.5
[M+HCOO]- 141.03687 133.3
[M+CH3COO]- 155.05252 164.6
[M+Na-2H]- 117.01334 118.5
[M]+ 96.038121 109.8
[M]- 96.039219 109.8
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