CID 366140

Nsc634467

Structural Information

Molecular Formula
C15H10ClFN2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C15H10ClFN2S/c16-10-7-9(5-6-11(10)17)15-19-13-4-2-1-3-12(13)18-14(19)8-20-15/h1-7,15H,8H2
InChIKey
XXZLFXUSJMQDQL-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0237 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03098 165.4
[M+Na]+ 327.01292 179.9
[M-H]- 303.01642 171.9
[M+NH4]+ 322.05752 185.9
[M+K]+ 342.98686 172.5
[M+H-H2O]+ 287.02096 158.6
[M+HCOO]- 349.02190 177.9
[M+CH3COO]- 363.03755 178.6
[M+Na-2H]- 324.99837 166.1
[M]+ 304.02315 170.9
[M]- 304.02425 170.9
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.