CID 83698484

1314763-51-3

Structural Information

Molecular Formula
C11H11FO2
SMILES
CC1=C(C=C(C=C1)F)C2(CC2)C(=O)O
InChI
InChI=1S/C11H11FO2/c1-7-2-3-8(12)6-9(7)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
NYRPFZYVIDWNBR-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 145.2
[M+Na]+ 217.06353 158.2
[M+NH4]+ 212.10813 154.7
[M+K]+ 233.03747 152.2
[M-H]- 193.06703 153.4
[M+Na-2H]- 215.04898 155.0
[M]+ 194.07376 150.5
[M]- 194.07486 150.5
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.