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]+ 281.96950 140.9
[M+Na]+ 303.95144 153.9
[M-H]- 279.95494 147.8
[M+NH4]+ 298.99604 158.5
[M+K]+ 319.92538 140.5
[M+H-H2O]+ 263.95948 139.7
[M+HCOO]- 325.96042 157.5
[M+CH3COO]- 339.97607 155.5
[M+Na-2H]- 301.93689 148.2
[M]+ 280.96167 159.8
[M]- 280.96277 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.