CID 44630661

1187830-57-4

Structural Information

Molecular Formula

C₉H₁₀BrNS

SMILES

C1C(C2=C(CS1)C=CC(=C2)Br)N

InChI

InChI=1S/C9H10BrNS/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9H,4-5,11H2

InChIKey

DNBHJHRJTJNRNF-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-1H-isothiochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.97173 Da
Monoisotopic Mass: 1.7
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]+	243.97901	130.3
[M+Na]+	265.96095	133.6
[M+NH4]+	261.00555	137.4
[M+K]+	281.93489	131.6
[M-H]-	241.96445	133.0
[M+Na-2H]-	263.94640	134.4
[M]+	242.97118	130.8
[M]-	242.97228	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe