CID 88677

7-bromoquinoline-8-thiol

Structural Information

Molecular Formula
C9H6BrNS
SMILES
C1=CC2=C(C(=C(C=C2)Br)S)N=C1
InChI
InChI=1S/C9H6BrNS/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
InChIKey
ZIPUIRKPZYIHLV-UHFFFAOYSA-N
Compound name
7-bromoquinoline-8-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.94043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.947706 130.7
[M+Na]+ 261.929648 145.2
[M-H]- 237.933154 137.7
[M+NH4]+ 256.974253 153.2
[M+K]+ 277.903588 133.3
[M+H-H2O]+ 221.937690 131.7
[M+HCOO]- 283.938631 147.1
[M+CH3COO]- 297.954281 147.1
[M+Na-2H]- 259.915096 139.7
[M]+ 238.93988142 151.8
[M]- 238.94097858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.