CID 13394818

2,2-difluoropropanol

Structural Information

Molecular Formula
C3H6F2O
SMILES
CC(CO)(F)F
InChI
InChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKey
CKLONJANQGBREW-UHFFFAOYSA-N
Compound name
2,2-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4020
Patents

96.03867 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.045946 113.2
[M+Na]+ 119.02789 121.8
[M-H]- 95.031394 110.1
[M+NH4]+ 114.07249 136.1
[M+K]+ 135.00183 121.5
[M+H-H2O]+ 79.035930 108.4
[M+HCOO]- 141.03687 133.1
[M+CH3COO]- 155.05252 163.2
[M+Na-2H]- 117.01334 120.9
[M]+ 96.038121 109.9
[M]- 96.039219 109.9
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