CID 7017700

4-(4-bromophenyl)-2-pyrimidinethiol

Structural Information

Molecular Formula
C10H7BrN2S
SMILES
C1=CC(=CC=C1C2=CC=NC(=S)N2)Br
InChI
InChI=1S/C10H7BrN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKey
OZHVNHFKKQMINS-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.95132 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95860 136.7
[M+Na]+ 288.94054 150.6
[M-H]- 264.94404 143.1
[M+NH4]+ 283.98514 154.9
[M+K]+ 304.91448 136.6
[M+H-H2O]+ 248.94858 136.7
[M+HCOO]- 310.94952 151.8
[M+CH3COO]- 324.96517 151.7
[M+Na-2H]- 286.92599 144.0
[M]+ 265.95077 154.9
[M]- 265.95187 154.9
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.