CID 138040385

2,5-dichloro-4-nitro-1,3-benzothiazole

Structural Information

Molecular Formula
C7H2Cl2N2O2S
SMILES
C1=CC(=C(C2=C1SC(=N2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H2Cl2N2O2S/c8-3-1-2-4-5(6(3)11(12)13)10-7(9)14-4/h1-2H
InChIKey
AZKSOPCCDWGCJD-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-nitro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.9214 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.92868 145.2
[M+Na]+ 270.91062 157.1
[M-H]- 246.91412 149.1
[M+NH4]+ 265.95522 165.3
[M+K]+ 286.88456 148.2
[M+H-H2O]+ 230.91866 145.9
[M+HCOO]- 292.91960 157.0
[M+CH3COO]- 306.93525 182.3
[M+Na-2H]- 268.89607 150.5
[M]+ 247.92085 150.2
[M]- 247.92195 150.2
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.