CID 79728914

3-cyclopropyl-2-fluorobut-2-enoic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
CC(=C(C(=O)O)F)C1CC1
InChI
InChI=1S/C7H9FO2/c1-4(5-2-3-5)6(8)7(9)10/h5H,2-3H2,1H3,(H,9,10)
InChIKey
SBOPRPMFVIOUAH-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-fluorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06593 125.4
[M+Na]+ 167.04787 133.7
[M-H]- 143.05137 127.6
[M+NH4]+ 162.09247 141.2
[M+K]+ 183.02181 131.4
[M+H-H2O]+ 127.05591 119.3
[M+HCOO]- 189.05685 144.9
[M+CH3COO]- 203.07250 176.4
[M+Na-2H]- 165.03332 128.2
[M]+ 144.05810 124.9
[M]- 144.05920 124.9
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.