CID 117114205

1260805-35-3

Structural Information

Molecular Formula
C13H12F4O2
SMILES
C1CCC(C1)(C2=CC(=CC(=C2)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C13H12F4O2/c14-10-6-8(5-9(7-10)13(15,16)17)12(11(18)19)3-1-2-4-12/h5-7H,1-4H2,(H,18,19)
InChIKey
RZTPIADHXJRCOQ-UHFFFAOYSA-N
Compound name
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07733 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08461 156.5
[M+Na]+ 299.06655 164.5
[M-H]- 275.07005 156.9
[M+NH4]+ 294.11115 175.5
[M+K]+ 315.04049 160.4
[M+H-H2O]+ 259.07459 148.2
[M+HCOO]- 321.07553 171.4
[M+CH3COO]- 335.09118 193.6
[M+Na-2H]- 297.05200 157.4
[M]+ 276.07678 148.7
[M]- 276.07788 148.7
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.