CID 130063341

2,4-dibromo-7-methyl-1,3-benzothiazole

Structural Information

Molecular Formula
C8H5Br2NS
SMILES
CC1=C2C(=C(C=C1)Br)N=C(S2)Br
InChI
InChI=1S/C8H5Br2NS/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3
InChIKey
VWUZTWXIWFBQMT-UHFFFAOYSA-N
Compound name
2,4-dibromo-7-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.85095 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.85823 127.8
[M+Na]+ 327.84017 143.4
[M-H]- 303.84367 136.1
[M+NH4]+ 322.88477 149.9
[M+K]+ 343.81411 127.9
[M+H-H2O]+ 287.84821 137.7
[M+HCOO]- 349.84915 142.2
[M+CH3COO]- 363.86480 144.5
[M+Na-2H]- 325.82562 135.5
[M]+ 304.85040 165.8
[M]- 304.85150 165.8
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

No patent data available for this compound.