CID 22704

2-amino-6-nitrobenzothiazole

Structural Information

Molecular Formula
C7H5N3O2S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N
InChI
InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
InChIKey
GPNAVOJCQIEKQF-UHFFFAOYSA-N
Compound name
6-nitro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

1233
Patents

195.01025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01753 132.2
[M+Na]+ 217.99947 145.2
[M+NH4]+ 213.04407 141.3
[M+K]+ 233.97341 142.0
[M-H]- 194.00297 135.9
[M+Na-2H]- 215.98492 138.5
[M]+ 195.00970 135.3
[M]- 195.01080 135.3
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

patents stripe