CID 15421748

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

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C1C(C1(F)F)(CO)CO
InChI
InChI=1S/C5H8F2O2/c6-5(7)1-4(5,2-8)3-9/h8-9H,1-3H2
InChIKey
UGYHPZDRTHTYAG-UHFFFAOYSA-N
Compound name
[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

138.04924 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 120.5
[M+Na]+ 161.03846 131.5
[M-H]- 137.04196 121.1
[M+NH4]+ 156.08306 140.1
[M+K]+ 177.01240 130.1
[M+H-H2O]+ 121.04650 116.6
[M+HCOO]- 183.04744 139.7
[M+CH3COO]- 197.06309 171.1
[M+Na-2H]- 159.02391 128.5
[M]+ 138.04869 121.0
[M]- 138.04979 121.0
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