CID 13425528

4,5-dihydro-2-(3-bromophenyl)-3-methylthiazolium iodide

Structural Information

Molecular Formula
C10H11BrNS
SMILES
C[N+]1=C(SCC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrNS/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3/q+1
InChIKey
AEHRAFRYGAHYQY-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-3-methyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98683 142.4
[M+Na]+ 278.96877 155.8
[M-H]- 254.97227 151.7
[M+NH4]+ 274.01337 164.6
[M+K]+ 294.94271 139.2
[M+H-H2O]+ 238.97681 145.5
[M+HCOO]- 300.97775 159.2
[M+CH3COO]- 314.99340 183.1
[M+Na-2H]- 276.95422 148.4
[M]+ 255.97900 161.1
[M]- 255.98010 161.1
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.