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

6
Patents

194.07431 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 136.0
[M+Na]+ 217.063528 146.5
[M-H]- 193.067034 141.8
[M+NH4]+ 212.108133 152.2
[M+K]+ 233.037468 143.7
[M+H-H2O]+ 177.071570 130.2
[M+HCOO]- 239.072511 157.2
[M+CH3COO]- 253.088161 185.0
[M+Na-2H]- 215.048976 141.4
[M]+ 194.07376142 137.7
[M]- 194.07485858 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

patents stripe