CID 155819622

2166170-18-7

Structural Information

Molecular Formula
C5H7FO2
SMILES
C[C@@H]1C[C@]1(C(=O)O)F
InChI
InChI=1S/C5H7FO2/c1-3-2-5(3,6)4(7)8/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1
InChIKey
VUCUGTZPWIJWPK-WUJLRWPWSA-N
Compound name
trans-(1S,2R)-1-fluoro-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.5
[M+Na]+ 141.032228 129.2
[M-H]- 117.035734 121.5
[M+NH4]+ 136.076833 137.6
[M+K]+ 157.006168 128.1
[M+H-H2O]+ 101.040270 114.1
[M+HCOO]- 163.041211 139.7
[M+CH3COO]- 177.056861 171.1
[M+Na-2H]- 139.017676 125.0
[M]+ 118.04246142 120.0
[M]- 118.04355858 120.0
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

No patent data available for this compound.