CID 11736355

20754-22-7

Structural Information

Molecular Formula
C11H9F3O2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C11H9F3O2/c1-16-10(15)7-4-8-2-5-9(6-3-8)11(12,13)14/h2-7H,1H3/b7-4+
InChIKey
YUEFITCWDISQAO-QPJJXVBHSA-N
Compound name
methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

230.05547 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06275 145.2
[M+Na]+ 253.04469 153.8
[M-H]- 229.04819 145.1
[M+NH4]+ 248.08929 163.4
[M+K]+ 269.01863 150.9
[M+H-H2O]+ 213.05273 137.2
[M+HCOO]- 275.05367 164.3
[M+CH3COO]- 289.06932 188.2
[M+Na-2H]- 251.03014 149.4
[M]+ 230.05492 142.8
[M]- 230.05602 142.8
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