CID 395905

Nsc701000

Structural Information

Molecular Formula
C16H9Cl2F3N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H9Cl2F3N2S/c17-9-2-1-3-10(18)14(9)15-23-12-6-8(16(19,20)21)4-5-11(12)22-13(23)7-24-15/h1-6,15H,7H2
InChIKey
RVMHGNPBTCTMID-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-7-(trifluoromethyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.98157 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98885 183.6
[M+Na]+ 410.97079 198.7
[M-H]- 386.97429 187.0
[M+NH4]+ 406.01539 201.2
[M+K]+ 426.94473 190.1
[M+H-H2O]+ 370.97883 175.5
[M+HCOO]- 432.97977 186.8
[M+CH3COO]- 446.99542 194.6
[M+Na-2H]- 408.95624 182.1
[M]+ 387.98102 188.3
[M]- 387.98212 188.3
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.