CID 62387988

2-(3,4-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10F2O2
SMILES
CC1(CC1C(=O)O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H10F2O2/c1-11(5-7(11)10(14)15)6-2-3-8(12)9(13)4-6/h2-4,7H,5H2,1H3,(H,14,15)
InChIKey
BZIXVZCPWVTUKP-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.06488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.072156 136.5
[M+Na]+ 235.054098 147.9
[M-H]- 211.057604 141.3
[M+NH4]+ 230.098703 152.2
[M+K]+ 251.028038 144.5
[M+H-H2O]+ 195.062140 130.0
[M+HCOO]- 257.063081 156.7
[M+CH3COO]- 271.078731 188.8
[M+Na-2H]- 233.039546 140.8
[M]+ 212.06433142 137.5
[M]- 212.06542858 137.5
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