CID 66026411

1-[(3-fluorophenyl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC1(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H11FO2/c12-9-3-1-2-8(6-9)7-11(4-5-11)10(13)14/h1-3,6H,4-5,7H2,(H,13,14)
InChIKey
NQNPVKIOTCXAPU-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 137.0
[M+Na]+ 217.063528 146.6
[M-H]- 193.067034 142.4
[M+NH4]+ 212.108133 152.9
[M+K]+ 233.037468 143.9
[M+H-H2O]+ 177.071570 130.9
[M+HCOO]- 239.072511 158.3
[M+CH3COO]- 253.088161 183.9
[M+Na-2H]- 215.048976 143.0
[M]+ 194.07376142 138.3
[M]- 194.07485858 138.3
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