CID 15524948

405150-89-2

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

C([C@@H]1[C@@H](C1(F)F)CO)O

InChI

InChI=1S/C5H8F2O2/c6-5(7)3(1-8)4(5)2-9/h3-4,8-9H,1-2H2/t3-,4+

InChIKey

KSYJIMLAIWGZHF-ZXZARUISSA-N

Compound name

[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.04924 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]+	139.05652	119.5
[M+Na]+	161.03846	130.6
[M-H]-	137.04196	120.0
[M+NH4]+	156.08306	137.4
[M+K]+	177.01240	128.2
[M+H-H2O]+	121.04650	114.4
[M+HCOO]-	183.04744	139.0
[M+CH3COO]-	197.06309	172.4
[M+Na-2H]-	159.02391	125.7
[M]+	138.04869	119.7
[M]-	138.04979	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe