CID 6089962

Cropotex

Structural Information

Molecular Formula
C17H10F6N4S
SMILES
C1=CC=C(C=C1)N=C2N(/C(=N\C(F)(F)F)/C(=N\C(F)(F)F)/S2)C3=CC=CC=C3
InChI
InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15?,25-13-,26-14+
InChIKey
IZFZCMFMJKDHJZ-ZZFYYJJNSA-N
Compound name
2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

0
Patents

416.05304 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.06032 189.2
[M+Na]+ 439.04226 198.0
[M-H]- 415.04576 193.9
[M+NH4]+ 434.08686 201.5
[M+K]+ 455.01620 191.1
[M+H-H2O]+ 399.05030 174.6
[M+HCOO]- 461.05124 204.0
[M+CH3COO]- 475.06689 230.4
[M+Na-2H]- 437.02771 190.1
[M]+ 416.05249 182.4
[M]- 416.05359 182.4
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.