CID 24728958

898748-39-5

Structural Information

Molecular Formula
C11H12BrNS
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(S2)Br
InChI
InChI=1S/C11H12BrNS/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3
InChIKey
PRXGVHNJTZGGOO-UHFFFAOYSA-N
Compound name
2-bromo-6-tert-butyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.98737 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.99465 146.7
[M+Na]+ 291.97659 162.2
[M-H]- 267.98009 154.2
[M+NH4]+ 287.02119 170.3
[M+K]+ 307.95053 150.3
[M+H-H2O]+ 251.98463 148.2
[M+HCOO]- 313.98557 163.1
[M+CH3COO]- 328.00122 192.7
[M+Na-2H]- 289.96204 153.2
[M]+ 268.98682 170.1
[M]- 268.98792 170.1
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.