CID 132365152

1344824-71-0

Structural Information

Molecular Formula
C9H11F3O2
SMILES
C1CC(C/C(=C/C(=O)O)/C1)C(F)(F)F
InChI
InChI=1S/C9H11F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h5,7H,1-4H2,(H,13,14)/b6-5+
InChIKey
IHTSSULWRABKPS-AATRIKPKSA-N
Compound name
(2E)-2-[3-(trifluoromethyl)cyclohexylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07840 141.7
[M+Na]+ 231.06034 147.5
[M-H]- 207.06384 139.3
[M+NH4]+ 226.10494 159.6
[M+K]+ 247.03428 144.8
[M+H-H2O]+ 191.06838 134.4
[M+HCOO]- 253.06932 155.4
[M+CH3COO]- 267.08497 181.3
[M+Na-2H]- 229.04579 143.4
[M]+ 208.07057 132.3
[M]- 208.07167 132.3
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.