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

0
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 136.5
[M+Na]+ 235.05410 147.9
[M-H]- 211.05760 141.3
[M+NH4]+ 230.09870 152.2
[M+K]+ 251.02804 144.5
[M+H-H2O]+ 195.06214 130.0
[M+HCOO]- 257.06308 156.7
[M+CH3COO]- 271.07873 188.8
[M+Na-2H]- 233.03955 140.8
[M]+ 212.06433 137.5
[M]- 212.06543 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

No patent data available for this compound.