CID 121514069

2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C/C(=C\C1=CC=C(C=C1)OC(F)(F)F)/C(=O)O
InChI
InChI=1S/C11H9F3O3/c1-7(10(15)16)6-8-2-4-9(5-3-8)17-11(12,13)14/h2-6H,1H3,(H,15,16)/b7-6+
InChIKey
SZHVEHBNTSXDOL-VOTSOKGWSA-N
Compound name
(E)-2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05038 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 148.3
[M+Na]+ 269.03960 156.0
[M-H]- 245.04310 146.8
[M+NH4]+ 264.08420 164.9
[M+K]+ 285.01354 153.3
[M+H-H2O]+ 229.04764 140.4
[M+HCOO]- 291.04858 165.0
[M+CH3COO]- 305.06423 189.1
[M+Na-2H]- 267.02505 150.8
[M]+ 246.04983 144.9
[M]- 246.05093 144.9
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.