CID 43345408

1170470-60-6

Structural Information

Molecular Formula

C₉H₁₀BrNS

SMILES

C1CSC2=C(C1N)C=C(C=C2)Br

InChI

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

InChIKey

BBIVYWYYBBNZIL-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-2H-thiochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 242.97173 Da
Monoisotopic Mass: 2.1
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