CID 4016318

2-hydrazino-6-nitrobenzothiazole

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NN
InChI
InChI=1S/C7H6N4O2S/c8-10-7-9-5-2-1-4(11(12)13)3-6(5)14-7/h1-3H,8H2,(H,9,10)
InChIKey
HCIQJRCGPLSQLH-UHFFFAOYSA-N
Compound name
(6-nitro-1,3-benzothiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

210.02115 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02843 133.8
[M+Na]+ 233.01037 142.9
[M-H]- 209.01387 137.8
[M+NH4]+ 228.05497 153.2
[M+K]+ 248.98431 135.4
[M+H-H2O]+ 193.01841 131.9
[M+HCOO]- 255.01935 157.0
[M+CH3COO]- 269.03500 181.3
[M+Na-2H]- 230.99582 142.5
[M]+ 210.02060 133.4
[M]- 210.02170 133.4
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