CID 371043

Heterocyclic sulfoxide

Structural Information

Molecular Formula
C15H10F2N2OS
SMILES
C1C2=NC3=CC=CC=C3N2C(S1=O)C4=C(C=CC=C4F)F
InChI
InChI=1S/C15H10F2N2OS/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-21(15)20/h1-7,15H,8H2
InChIKey
VQJYYAYBKBRRDJ-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

304.0482 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05548 163.8
[M+Na]+ 327.03742 178.4
[M-H]- 303.04092 169.5
[M+NH4]+ 322.08202 183.5
[M+K]+ 343.01136 171.8
[M+H-H2O]+ 287.04546 156.0
[M+HCOO]- 349.04640 180.2
[M+CH3COO]- 363.06205 177.0
[M+Na-2H]- 325.02287 163.9
[M]+ 304.04765 167.4
[M]- 304.04875 167.4
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.