CID 17775566

3,3-difluoropropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1044
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 113.7
[M+Na]+ 119.02789 121.5
[M-H]- 95.031394 110.3
[M+NH4]+ 114.07249 136.3
[M+K]+ 135.00183 121.3
[M+H-H2O]+ 79.035930 108.2
[M+HCOO]- 141.03687 134.0
[M+CH3COO]- 155.05252 163.8
[M+Na-2H]- 117.01334 119.5
[M]+ 96.038121 110.2
[M]- 96.039219 110.2
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