CID 83698480

1314665-69-4

Structural Information

Molecular Formula
C11H11FO2
SMILES
CC1=C(C=CC=C1F)C2(CC2)C(=O)O
InChI
InChI=1S/C11H11FO2/c1-7-8(3-2-4-9(7)12)11(5-6-11)10(13)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKey
XDVUQVNVVKDIQC-UHFFFAOYSA-N
Compound name
1-(3-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 136.0
[M+Na]+ 217.06353 146.5
[M-H]- 193.06703 141.8
[M+NH4]+ 212.10813 152.2
[M+K]+ 233.03747 143.7
[M+H-H2O]+ 177.07157 130.2
[M+HCOO]- 239.07251 157.2
[M+CH3COO]- 253.08816 185.0
[M+Na-2H]- 215.04898 141.4
[M]+ 194.07376 137.7
[M]- 194.07486 137.7
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.