CID 146082004

2741301-06-2

Structural Information

Molecular Formula
C5H9FO
SMILES
C1[C@H]([C@H]1CF)CO
InChI
InChI=1S/C5H9FO/c6-2-4-1-5(4)3-7/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKey
SRNRPIOIKOGDDG-UHNVWZDZSA-N
Compound name
[(1R,2S)-2-(fluoromethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

104.06374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 115.9
[M+Na]+ 127.052958 125.9
[M-H]- 103.056464 118.5
[M+NH4]+ 122.097563 133.8
[M+K]+ 143.026898 123.9
[M+H-H2O]+ 87.061000 110.0
[M+HCOO]- 149.061941 138.1
[M+CH3COO]- 163.077591 169.7
[M+Na-2H]- 125.038406 122.6
[M]+ 104.06319142 116.8
[M]- 104.06428858 116.8
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.