CID 114346575

1602871-83-9

Structural Information

Molecular Formula
C12H13FO2
SMILES
CC1=C(C=CC(=C1)F)CC2(CC2)C(=O)O
InChI
InChI=1S/C12H13FO2/c1-8-6-10(13)3-2-9(8)7-12(4-5-12)11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKey
XOMWZAUOVHNMTN-UHFFFAOYSA-N
Compound name
1-[(4-fluoro-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.08995 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 140.3
[M+Na]+ 231.07917 150.4
[M-H]- 207.08267 145.9
[M+NH4]+ 226.12377 155.9
[M+K]+ 247.05311 147.3
[M+H-H2O]+ 191.08721 134.3
[M+HCOO]- 253.08815 161.2
[M+CH3COO]- 267.10380 187.9
[M+Na-2H]- 229.06462 145.2
[M]+ 208.08940 142.3
[M]- 208.09050 142.3
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