CID 75481707

1260780-99-1

Structural Information

Molecular Formula
C11H8F4O2
SMILES
C1CC1(C2=CC(=CC(=C2)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H8F4O2/c12-8-4-6(10(1-2-10)9(16)17)3-7(5-8)11(13,14)15/h3-5H,1-2H2,(H,16,17)
InChIKey
UHHHXFUMRLHTJJ-UHFFFAOYSA-N
Compound name
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04604 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05332 140.2
[M+Na]+ 271.03526 151.0
[M-H]- 247.03876 142.1
[M+NH4]+ 266.07986 154.0
[M+K]+ 287.00920 147.3
[M+H-H2O]+ 231.04330 132.0
[M+HCOO]- 293.04424 156.7
[M+CH3COO]- 307.05989 192.8
[M+Na-2H]- 269.02071 144.8
[M]+ 248.04549 137.8
[M]- 248.04659 137.8
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.