CID 95744

2,2-difluoropropane-1,3-diol

Structural Information

Molecular Formula
C3H6F2O2
SMILES
C(C(CO)(F)F)O
InChI
InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2
InChIKey
AMCKYDINHDOOCB-UHFFFAOYSA-N
Compound name
2,2-difluoropropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

625
Patents

112.033585 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04086 117.1
[M+Na]+ 135.02280 125.2
[M-H]- 111.02631 112.5
[M+NH4]+ 130.06741 138.5
[M+K]+ 150.99674 124.3
[M+H-H2O]+ 95.030845 112.2
[M+HCOO]- 157.03179 135.6
[M+CH3COO]- 171.04744 162.5
[M+Na-2H]- 133.00825 124.2
[M]+ 112.03304 113.3
[M]- 112.03413 113.3
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