CID 371361

Nsc645580

Structural Information

Molecular Formula
C15H10F2N2O2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1(=O)=O)C4=C(C=CC=C4F)F
InChI
InChI=1S/C15H10F2N2O2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-22(15,20)21/h1-7,15H,8H2
InChIKey
ZIRWJJYUSWOYNE-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05038 166.5
[M+Na]+ 343.03232 182.0
[M-H]- 319.03582 172.4
[M+NH4]+ 338.07692 187.4
[M+K]+ 359.00626 175.6
[M+H-H2O]+ 303.04036 158.8
[M+HCOO]- 365.04130 183.2
[M+CH3COO]- 379.05695 179.9
[M+Na-2H]- 341.01777 168.2
[M]+ 320.04255 171.2
[M]- 320.04365 171.2
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.