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]+ 248.928676 145.2
[M+Na]+ 270.910618 157.1
[M-H]- 246.914124 149.1
[M+NH4]+ 265.955223 165.3
[M+K]+ 286.884558 148.2
[M+H-H2O]+ 230.918660 145.9
[M+HCOO]- 292.919601 157.0
[M+CH3COO]- 306.935251 182.3
[M+Na-2H]- 268.896066 150.5
[M]+ 247.92085142 150.2
[M]- 247.92194858 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.