CID 45791045

915921-31-2

Structural Information

Molecular Formula
C12H13FO2
SMILES
CC1(CC1(C2=CC=C(C=C2)F)C(=O)O)C
InChI
InChI=1S/C12H13FO2/c1-11(2)7-12(11,10(14)15)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey
RIOYANNPRFBSNF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

208.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 140.2
[M+Na]+ 231.07917 151.1
[M-H]- 207.08267 146.3
[M+NH4]+ 226.12377 157.8
[M+K]+ 247.05311 149.1
[M+H-H2O]+ 191.08721 135.5
[M+HCOO]- 253.08815 160.8
[M+CH3COO]- 267.10380 187.7
[M+Na-2H]- 229.06462 146.2
[M]+ 208.08940 142.9
[M]- 208.09050 142.9
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