CID 11184113

5-bromo-n-methyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H7BrN2S
SMILES
CNC1=NC2=C(S1)C=CC(=C2)Br
InChI
InChI=1S/C8H7BrN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKey
RHEIKUIELFJNSE-UHFFFAOYSA-N
Compound name
5-bromo-N-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

241.95132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.958596 133.5
[M+Na]+ 264.940538 148.8
[M-H]- 240.944044 140.9
[M+NH4]+ 259.985143 157.4
[M+K]+ 280.914478 136.7
[M+H-H2O]+ 224.948580 134.1
[M+HCOO]- 286.949521 153.1
[M+CH3COO]- 300.965171 150.3
[M+Na-2H]- 262.925986 141.5
[M]+ 241.95077142 155.7
[M]- 241.95186858 155.7
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