CID 4404138

4-(4-bromophenyl)thiazole

Structural Information

Molecular Formula
C9H6BrNS
SMILES
C1=CC(=CC=C1C2=CSC=N2)Br
InChI
InChI=1S/C9H6BrNS/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKey
SZHUYYAEKCCJAR-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

238.94043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.947706 134.6
[M+Na]+ 261.929648 148.8
[M-H]- 237.933154 143.8
[M+NH4]+ 256.974253 157.6
[M+K]+ 277.903588 137.3
[M+H-H2O]+ 221.937690 135.3
[M+HCOO]- 283.938631 153.5
[M+CH3COO]- 297.954281 151.3
[M+Na-2H]- 259.915096 140.7
[M]+ 238.93988142 155.0
[M]- 238.94097858 155.0
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