CID 617458

4-bromo-3-phenyl-1,2-thiazole

Structural Information

Molecular Formula
C9H6BrNS
SMILES
C1=CC=C(C=C1)C2=NSC=C2Br
InChI
InChI=1S/C9H6BrNS/c10-8-6-12-11-9(8)7-4-2-1-3-5-7/h1-6H
InChIKey
CAKMTNUERSGKHB-UHFFFAOYSA-N
Compound name
4-bromo-3-phenyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe