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

3
Patents

122.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 116.5
[M+Na]+ 145.043538 126.3
[M-H]- 121.047044 117.8
[M+NH4]+ 140.088143 133.6
[M+K]+ 161.017478 124.1
[M+H-H2O]+ 105.051580 109.8
[M+HCOO]- 167.052521 136.8
[M+CH3COO]- 181.068171 173.1
[M+Na-2H]- 143.028986 121.7
[M]+ 122.05377142 115.7
[M]- 122.05486858 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

patents stripe