CID 3074643

160518-36-5

Structural Information

Molecular Formula
C11H11BrN2O2S
SMILES
C1CN=C(N1)SCC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C11H11BrN2O2S/c12-7-1-2-9(15)8(5-7)10(16)6-17-11-13-3-4-14-11/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKey
UVYSJQIOFBWVMJ-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-hydroxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.97247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.97975 154.1
[M+Na]+ 336.96169 165.7
[M-H]- 312.96519 158.9
[M+NH4]+ 332.00629 171.3
[M+K]+ 352.93563 152.7
[M+H-H2O]+ 296.96973 154.0
[M+HCOO]- 358.97067 166.4
[M+CH3COO]- 372.98632 192.8
[M+Na-2H]- 334.94714 156.0
[M]+ 313.97192 172.4
[M]- 313.97302 172.4
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.