CID 737197

51011-54-2

Structural Information

Molecular Formula

C₇H₆ClN₃S

SMILES

C1=CC2=C(C=C1Cl)SC(=N2)NN

InChI

InChI=1S/C7H6ClN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)

InChIKey

JBAIRAQEQLLZMN-UHFFFAOYSA-N

Compound name

(6-chloro-1,3-benzothiazol-2-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 24
Patents: 198.9971 Da
Monoisotopic Mass: 2.8
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]+	200.004376	135.0
[M+Na]+	221.986318	147.2
[M-H]-	197.989824	139.1
[M+NH4]+	217.030923	157.1
[M+K]+	237.960258	141.7
[M+H-H2O]+	181.994360	130.1
[M+HCOO]-	243.995301	152.7
[M+CH3COO]-	258.010951	149.4
[M+Na-2H]-	219.971766	140.9
[M]+	198.99655142	138.5
[M]-	198.99764858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe