CID 11608559

3-benzylthiazolium bromide

Structural Information

Molecular Formula
C10H10NS
SMILES
C1=CC=C(C=C1)C[N+]2=CSC=C2
InChI
InChI=1S/C10H10NS/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-7,9H,8H2/q+1
InChIKey
VRBQHWBVNLNLOZ-UHFFFAOYSA-N
Compound name
3-benzyl-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

176.05339 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06067 135.3
[M+Na]+ 199.04261 144.4
[M-H]- 175.04611 141.7
[M+NH4]+ 194.08721 156.3
[M+K]+ 215.01655 135.7
[M+H-H2O]+ 159.05065 131.4
[M+HCOO]- 221.05159 155.4
[M+CH3COO]- 235.06724 170.4
[M+Na-2H]- 197.02806 141.7
[M]+ 176.05284 135.3
[M]- 176.05394 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe