CID 132371498

4-(2,2-difluoro-1-methylcyclopropyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.072156 137.7
[M+Na]+ 235.054098 148.9
[M-H]- 211.057604 142.5
[M+NH4]+ 230.098703 155.0
[M+K]+ 251.028038 146.6
[M+H-H2O]+ 195.062140 132.0
[M+HCOO]- 257.063081 157.5
[M+CH3COO]- 271.078731 187.4
[M+Na-2H]- 233.039546 143.6
[M]+ 212.06433142 138.8
[M]- 212.06542858 138.8
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.