CID 16228029

(e)-3-(2-(trifluoromethoxy)phenyl)acrylic acid

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 152.3
[M+Na]+ 255.02395 160.3
[M+NH4]+ 250.06855 156.4
[M+K]+ 270.99789 156.0
[M-H]- 231.02745 147.6
[M+Na-2H]- 253.00940 154.9
[M]+ 232.03418 151.7
[M]- 232.03528 151.7
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

patents stripe