CID 162341784

1799405-33-6

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1[C@H]([C@@H]1C(F)F)CO
InChI
InChI=1S/C5H8F2O/c6-5(7)4-1-3(4)2-8/h3-5,8H,1-2H2/t3-,4+/m0/s1
InChIKey
RPIKLIIFMWGPPI-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-(difluoromethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 116.5
[M+Na]+ 145.04354 126.3
[M-H]- 121.04704 117.8
[M+NH4]+ 140.08814 133.6
[M+K]+ 161.01748 124.1
[M+H-H2O]+ 105.05158 109.8
[M+HCOO]- 167.05252 136.8
[M+CH3COO]- 181.06817 173.1
[M+Na-2H]- 143.02899 121.7
[M]+ 122.05377 115.7
[M]- 122.05487 115.7
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

No patent data available for this compound.