CID 366139

Nsc634466

Structural Information

Molecular Formula
C17H10F6N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H10F6N2S/c18-16(19,20)10-5-9(6-11(7-10)17(21,22)23)15-25-13-4-2-1-3-12(13)24-14(25)8-26-15/h1-7,15H,8H2
InChIKey
BGVYVUAYXACWTA-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04688 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05416 183.4
[M+Na]+ 411.03610 196.9
[M-H]- 387.03960 183.6
[M+NH4]+ 406.08070 199.4
[M+K]+ 427.01004 189.4
[M+H-H2O]+ 371.04414 172.5
[M+HCOO]- 433.04508 191.4
[M+CH3COO]- 447.06073 193.3
[M+Na-2H]- 409.02155 182.9
[M]+ 388.04633 181.1
[M]- 388.04743 181.1
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.