CID 16228806

20174-72-5

Structural Information

Molecular Formula

C₇H₆ClN₃S

SMILES

C1=CC2=C(C=C1Cl)N=C(S2)NN

InChI

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

InChIKey

MJAOIHNAUFRSRU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 198.9971 Da
Monoisotopic Mass: 2.6
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]+	200.00438	135.0
[M+Na]+	221.98632	147.2
[M-H]-	197.98982	139.1
[M+NH4]+	217.03092	157.1
[M+K]+	237.96026	141.7
[M+H-H2O]+	181.99436	130.1
[M+HCOO]-	243.99530	152.7
[M+CH3COO]-	258.01095	149.4
[M+Na-2H]-	219.97177	140.9
[M]+	198.99655	138.5
[M]-	198.99765	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe