CID 2735605

17452-23-2

Structural Information

Molecular Formula
C9H7BrN2S
SMILES
C1=CC(=CC=C1N2C=CNC2=S)Br
InChI
InChI=1S/C9H7BrN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKey
ZKPXIPSWVWPFDF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.95132 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.958596 136.9
[M+Na]+ 276.940538 151.7
[M-H]- 252.944044 143.8
[M+NH4]+ 271.985143 157.6
[M+K]+ 292.914478 138.4
[M+H-H2O]+ 236.948580 137.3
[M+HCOO]- 298.949521 153.3
[M+CH3COO]- 312.965171 152.6
[M+Na-2H]- 274.925986 141.9
[M]+ 253.95077142 155.7
[M]- 253.95186858 155.7
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

patents stripe