CID 45051443

853355-97-2

Structural Information

Molecular Formula
C13H11F3N2S
SMILES
CC1=CSC(=N1)C(=NC2=CC=CC=C2C(F)(F)F)C
InChI
InChI=1S/C13H11F3N2S/c1-8-7-19-12(17-8)9(2)18-11-6-4-3-5-10(11)13(14,15)16/h3-7H,1-2H3
InChIKey
MDUPORPSSBHOKN-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0595 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06678 159.2
[M+Na]+ 307.04872 168.9
[M-H]- 283.05222 162.9
[M+NH4]+ 302.09332 176.8
[M+K]+ 323.02266 164.2
[M+H-H2O]+ 267.05676 149.4
[M+HCOO]- 329.05770 175.3
[M+CH3COO]- 343.07335 202.1
[M+Na-2H]- 305.03417 159.6
[M]+ 284.05895 158.4
[M]- 284.06005 158.4
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.