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]+ 213.07216 137.7
[M+Na]+ 235.05410 148.9
[M-H]- 211.05760 142.5
[M+NH4]+ 230.09870 155.0
[M+K]+ 251.02804 146.6
[M+H-H2O]+ 195.06214 132.0
[M+HCOO]- 257.06308 157.5
[M+CH3COO]- 271.07873 187.4
[M+Na-2H]- 233.03955 143.6
[M]+ 212.06433 138.8
[M]- 212.06543 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.