CID 135441318

301687-70-7

Structural Information

Molecular Formula
C17H13F3N2OS
SMILES
C1=CC=C(C=C1)N=C2NC(=O)C(S2)CC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H13F3N2OS/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)22-16(24-14)21-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,21,22,23)
InChIKey
DXTMCFZBFJNDOP-UHFFFAOYSA-N
Compound name
2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

350.07007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07735 177.0
[M+Na]+ 373.05929 185.2
[M-H]- 349.06279 181.7
[M+NH4]+ 368.10389 190.7
[M+K]+ 389.03323 178.0
[M+H-H2O]+ 333.06733 166.4
[M+HCOO]- 395.06827 190.4
[M+CH3COO]- 409.08392 209.5
[M+Na-2H]- 371.04474 176.2
[M]+ 350.06952 172.4
[M]- 350.07062 172.4
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

patents stripe