CID 102549037

2,2-difluoro-1-(3-methylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10F2O2
SMILES
CC1=CC(=CC=C1)C2(CC2(F)F)C(=O)O
InChI
InChI=1S/C11H10F2O2/c1-7-3-2-4-8(5-7)10(9(14)15)6-11(10,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKey
VFRCSWBZBZWREG-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(3-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.06488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07216 150.7
[M+Na]+ 235.05410 162.2
[M+NH4]+ 230.09870 160.3
[M+K]+ 251.02804 155.0
[M-H]- 211.05760 157.0
[M+Na-2H]- 233.03955 160.6
[M]+ 212.06433 155.3
[M]- 212.06543 155.3
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