CID 135796360

58670-18-1

Structural Information

Molecular Formula
C13H13F3N2O3
SMILES
CCOC(=O)/C(=C(/C)\O)/N=NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C13H13F3N2O3/c1-3-21-12(20)11(8(2)19)18-17-10-6-4-5-9(7-10)13(14,15)16/h4-7,19H,3H2,1-2H3/b11-8+,18-17?
InChIKey
YAIIZSLENAGMAE-JOLFQTHCSA-N
Compound name
ethyl (E)-3-hydroxy-2-[[3-(trifluoromethyl)phenyl]diazenyl]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08783 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09511 164.3
[M+Na]+ 325.07705 170.4
[M-H]- 301.08055 165.2
[M+NH4]+ 320.12165 179.2
[M+K]+ 341.05099 168.9
[M+H-H2O]+ 285.08509 154.7
[M+HCOO]- 347.08603 184.6
[M+CH3COO]- 361.10168 208.9
[M+Na-2H]- 323.06250 166.2
[M]+ 302.08728 162.3
[M]- 302.08838 162.3
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

No patent data available for this compound.