CID 2063615

155814-20-3

Structural Information

Molecular Formula
C11H6F6O2
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=C/C(=O)O
InChI
InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+
InChIKey
IZKCKOPHMWHBHR-OWOJBTEDSA-N
Compound name
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

284.0272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03448 174.0
[M+Na]+ 307.01642 178.3
[M+NH4]+ 302.06102 175.2
[M+K]+ 322.99036 174.6
[M-H]- 283.01992 166.4
[M+Na-2H]- 305.00187 173.3
[M]+ 284.02665 172.0
[M]- 284.02775 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe