CID 121514034

(2e)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C11H9F3O3
SMILES
COC1=C(C=CC(=C1)C(F)(F)F)/C=C/C(=O)O
InChI
InChI=1S/C11H9F3O3/c1-17-9-6-8(11(12,13)14)4-2-7(9)3-5-10(15)16/h2-6H,1H3,(H,15,16)/b5-3+
InChIKey
GWCJMKSOPUUFDP-HWKANZROSA-N
Compound name
(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.057656 147.9
[M+Na]+ 269.039598 156.9
[M-H]- 245.043104 146.7
[M+NH4]+ 264.084203 164.9
[M+K]+ 285.013538 153.6
[M+H-H2O]+ 229.047640 140.1
[M+HCOO]- 291.048581 165.7
[M+CH3COO]- 305.064231 189.5
[M+Na-2H]- 267.025046 151.0
[M]+ 246.04983142 145.5
[M]- 246.05092858 145.5
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.