CID 135923055

Schembl19636536

Structural Information

Molecular Formula
C12H11F3N2O2
SMILES
C/C(=C(/C=N)\C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O
InChI
InChI=1S/C12H11F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6,16,18H,1H3,(H,17,19)/b10-7+,16-6?
InChIKey
VOMIUKQFIMFXTP-GMTNAYPDSA-N
Compound name
(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.07727 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08455 157.0
[M+Na]+ 295.06649 162.7
[M-H]- 271.06999 155.3
[M+NH4]+ 290.11109 171.7
[M+K]+ 311.04043 159.1
[M+H-H2O]+ 255.07453 148.3
[M+HCOO]- 317.07547 174.4
[M+CH3COO]- 331.09112 199.6
[M+Na-2H]- 293.05194 158.3
[M]+ 272.07672 149.5
[M]- 272.07782 149.5
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