CID 10964439

1026908-13-3

Structural Information

Molecular Formula
C3H6F2O2
SMILES
C([C@H](C(F)F)O)O
InChI
InChI=1S/C3H6F2O2/c4-3(5)2(7)1-6/h2-3,6-7H,1H2/t2-/m1/s1
InChIKey
JPAVBODQAQRIMW-UWTATZPHSA-N
Compound name
(2R)-3,3-difluoropropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

112.033585 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.040861 117.8
[M+Na]+ 135.022803 124.9
[M-H]- 111.026309 113.0
[M+NH4]+ 130.067408 138.9
[M+K]+ 150.996743 124.6
[M+H-H2O]+ 95.030845 112.3
[M+HCOO]- 157.031786 135.8
[M+CH3COO]- 171.047436 163.9
[M+Na-2H]- 133.008251 121.6
[M]+ 112.03303642 113.1
[M]- 112.03413358 113.1
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