CID 16228029

399579-92-1

Structural Information

Molecular Formula
C10H7F3O3
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)O)OC(F)(F)F
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
InChIKey
RTCUAUKXVCMIBS-AATRIKPKSA-N
Compound name
(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

232.03473 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04201 144.0
[M+Na]+ 255.02395 152.4
[M-H]- 231.02745 142.5
[M+NH4]+ 250.06855 161.1
[M+K]+ 270.99789 149.3
[M+H-H2O]+ 215.03199 136.1
[M+HCOO]- 277.03293 162.0
[M+CH3COO]- 291.04858 185.2
[M+Na-2H]- 253.00940 148.2
[M]+ 232.03418 140.8
[M]- 232.03528 140.8
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

patents stripe