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: 37
Patents: 112.033585 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.04086	117.8
[M+Na]+	135.02280	124.9
[M-H]-	111.02631	113.0
[M+NH4]+	130.06741	138.9
[M+K]+	150.99674	124.6
[M+H-H2O]+	95.030845	112.3
[M+HCOO]-	157.03179	135.8
[M+CH3COO]-	171.04744	163.9
[M+Na-2H]-	133.00825	121.6
[M]+	112.03304	113.1
[M]-	112.03413	113.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe