CID 11760574

475977-82-3

Structural Information

Molecular Formula
C16H10F6N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H10F6N2S/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)8-25-14-23-12-3-1-2-4-13(12)24-14/h1-7H,8H2,(H,23,24)
InChIKey
QLLDDGFAFROEIH-UHFFFAOYSA-N
Compound name
2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.04688 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05416 178.4
[M+Na]+ 399.03610 190.5
[M-H]- 375.03960 175.5
[M+NH4]+ 394.08070 191.0
[M+K]+ 415.01004 181.8
[M+H-H2O]+ 359.04414 166.2
[M+HCOO]- 421.04508 185.6
[M+CH3COO]- 435.06073 211.0
[M+Na-2H]- 397.02155 179.4
[M]+ 376.04633 174.4
[M]- 376.04743 174.4
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.