CID 15292313

143163-72-8

Structural Information

Molecular Formula
C8H5BrClNS
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)CBr
InChI
InChI=1S/C8H5BrClNS/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2
InChIKey
ICZQQYOEDNQIAD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-chloro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

260.90146 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.90874 136.8
[M+Na]+ 283.89068 142.8
[M+NH4]+ 278.93528 143.9
[M+K]+ 299.86462 140.8
[M-H]- 259.89418 138.4
[M+Na-2H]- 281.87613 141.4
[M]+ 260.90091 137.8
[M]- 260.90201 137.8
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