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

41
Patents

138.04924 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056516 120.5
[M+Na]+ 161.038458 131.5
[M-H]- 137.041964 121.1
[M+NH4]+ 156.083063 140.1
[M+K]+ 177.012398 130.1
[M+H-H2O]+ 121.046500 116.6
[M+HCOO]- 183.047441 139.7
[M+CH3COO]- 197.063091 171.1
[M+Na-2H]- 159.023906 128.5
[M]+ 138.04869142 121.0
[M]- 138.04978858 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