CID 3034610

Imidazole-2-thiol, 1-(m-bromophenyl)-

Structural Information

Molecular Formula
C9H7BrN2S
SMILES
C1=CC(=CC(=C1)Br)N2C=CNC2=S
InChI
InChI=1S/C9H7BrN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)
InChIKey
MVNASPZLDQMKDG-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.95132 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95860 136.9
[M+Na]+ 276.94054 151.7
[M-H]- 252.94404 143.8
[M+NH4]+ 271.98514 157.6
[M+K]+ 292.91448 138.4
[M+H-H2O]+ 236.94858 137.3
[M+HCOO]- 298.94952 153.3
[M+CH3COO]- 312.96517 152.6
[M+Na-2H]- 274.92599 141.9
[M]+ 253.95077 155.7
[M]- 253.95187 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