CID 11378801

2-(4-methylphenyl)-1,3-thiazole hydrobromide

Structural Information

Molecular Formula
C10H9NS
SMILES
CC1=CC=C(C=C1)C2=NC=CS2
InChI
InChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-7H,1H3
InChIKey
LHXIZCFNFNHOPM-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

175.04558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 134.1
[M+Na]+ 198.03480 144.4
[M-H]- 174.03830 140.5
[M+NH4]+ 193.07940 155.8
[M+K]+ 214.00874 140.8
[M+H-H2O]+ 158.04284 127.8
[M+HCOO]- 220.04378 154.5
[M+CH3COO]- 234.05943 148.7
[M+Na-2H]- 196.02025 137.7
[M]+ 175.04503 136.0
[M]- 175.04613 136.0
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