CID 2761039

2-[(5-bromopyrimidin-2-yl)thio]aniline

Structural Information

Molecular Formula
C10H8BrN3S
SMILES
C1=CC=C(C(=C1)N)SC2=NC=C(C=N2)Br
InChI
InChI=1S/C10H8BrN3S/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H,12H2
InChIKey
OWGBPUYHIKFDHK-UHFFFAOYSA-N
Compound name
2-(5-bromopyrimidin-2-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.96222 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.969496 140.9
[M+Na]+ 303.951438 153.9
[M-H]- 279.954944 147.8
[M+NH4]+ 298.996043 158.5
[M+K]+ 319.925378 140.5
[M+H-H2O]+ 263.959480 139.7
[M+HCOO]- 325.960421 157.5
[M+CH3COO]- 339.976071 155.5
[M+Na-2H]- 301.936886 148.2
[M]+ 280.96167142 159.8
[M]- 280.96276858 159.8
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.