CID 396039

Nsc701311

Structural Information

Molecular Formula
C16H12ClFN2OS
SMILES
COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C16H12ClFN2OS/c1-21-9-5-6-12-13(7-9)20-14(19-12)8-22-16(20)15-10(17)3-2-4-11(15)18/h2-7,16H,8H2,1H3
InChIKey
BMONISGQURZTRR-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0343 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04158 173.6
[M+Na]+ 357.02352 188.1
[M-H]- 333.02702 180.2
[M+NH4]+ 352.06812 193.0
[M+K]+ 372.99746 181.1
[M+H-H2O]+ 317.03156 166.8
[M+HCOO]- 379.03250 185.8
[M+CH3COO]- 393.04815 186.4
[M+Na-2H]- 355.00897 173.3
[M]+ 334.03375 181.1
[M]- 334.03485 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

literature stripe

Patent stripe

No patent data available for this compound.