CID 17787399

1-propanol, 2,3-difluoro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1253
Patents

96.03867 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe