CID 13447948

2-cyclohexylidene-2-fluoroacetic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CCC(=C(C(=O)O)F)CC1
InChI
InChI=1S/C8H11FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H2,(H,10,11)
InChIKey
PEWOTSOYGQEXDI-UHFFFAOYSA-N
Compound name
2-cyclohexylidene-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.081586 132.8
[M+Na]+ 181.063528 137.2
[M-H]- 157.067034 132.8
[M+NH4]+ 176.108133 152.4
[M+K]+ 197.037468 135.7
[M+H-H2O]+ 141.071570 126.8
[M+HCOO]- 203.072511 149.6
[M+CH3COO]- 217.088161 172.8
[M+Na-2H]- 179.048976 134.9
[M]+ 158.07376142 125.0
[M]- 158.07485858 125.0
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

patents stripe