CID 4016318

30710-21-5

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: 43
Patents: 210.02115 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.02843	134.9
[M+Na]+	233.01037	146.6
[M+NH4]+	228.05497	143.5
[M+K]+	248.98431	143.9
[M-H]-	209.01387	138.9
[M+Na-2H]-	230.99582	141.0
[M]+	210.02060	137.8
[M]-	210.02170	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe