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

1
Patents

194.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 137.0
[M+Na]+ 217.06353 146.6
[M-H]- 193.06703 142.4
[M+NH4]+ 212.10813 152.9
[M+K]+ 233.03747 143.9
[M+H-H2O]+ 177.07157 130.9
[M+HCOO]- 239.07251 158.3
[M+CH3COO]- 253.08816 183.9
[M+Na-2H]- 215.04898 143.0
[M]+ 194.07376 138.3
[M]- 194.07486 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