CID 384825

Nsc675277

Structural Information

Molecular Formula
C15H9F2N3O2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H9F2N3O2S/c16-9-2-1-3-10(17)14(9)15-19-12-6-8(20(21)22)4-5-11(12)18-13(19)7-23-15/h1-6,15H,7H2
InChIKey
NWGWIRRSIXWBBQ-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-7-nitro-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.03836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04564 168.9
[M+Na]+ 356.02758 180.3
[M-H]- 332.03108 174.3
[M+NH4]+ 351.07218 185.9
[M+K]+ 372.00152 170.3
[M+H-H2O]+ 316.03562 165.0
[M+HCOO]- 378.03656 185.5
[M+CH3COO]- 392.05221 202.2
[M+Na-2H]- 354.01303 171.8
[M]+ 333.03781 169.6
[M]- 333.03891 169.6
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.