CID 9793716

Cis-2-fluorocyclopropanecarboxylic acid

Structural Information

Molecular Formula
C4H5FO2
SMILES
C1[C@H]([C@H]1F)C(=O)O
InChI
InChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m1/s1
InChIKey
HZQKMZGKYVDMCT-GBXIJSLDSA-N
Compound name
cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

910
Patents

104.02736 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.034636 113.8
[M+Na]+ 127.016578 124.3
[M-H]- 103.020084 116.6
[M+NH4]+ 122.061183 131.5
[M+K]+ 142.990518 122.4
[M+H-H2O]+ 87.024620 108.1
[M+HCOO]- 149.025561 135.8
[M+CH3COO]- 163.041211 168.6
[M+Na-2H]- 125.002026 119.8
[M]+ 104.02681142 114.5
[M]- 104.02790858 114.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe