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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 119.5
[M+Na]+ 161.038458 130.6
[M-H]- 137.041964 120.0
[M+NH4]+ 156.083063 137.4
[M+K]+ 177.012398 128.2
[M+H-H2O]+ 121.046500 114.4
[M+HCOO]- 183.047441 139.0
[M+CH3COO]- 197.063091 172.4
[M+Na-2H]- 159.023906 125.7
[M]+ 138.04869142 119.7
[M]- 138.04978858 119.7
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