CID 13546649

5-bromo-2-phenylthiazole

Structural Information

Molecular Formula
C9H6BrNS
SMILES
C1=CC=C(C=C1)C2=NC=C(S2)Br
InChI
InChI=1S/C9H6BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
QCVVLWIDBXNFEO-UHFFFAOYSA-N
Compound name
5-bromo-2-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

238.94043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.94771 134.0
[M+Na]+ 261.92965 138.9
[M+NH4]+ 256.97425 140.7
[M+K]+ 277.90359 137.7
[M-H]- 237.93315 136.8
[M+Na-2H]- 259.91510 140.2
[M]+ 238.93988 134.9
[M]- 238.94098 134.9
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