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

32
Patents

241.95132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95860 133.5
[M+Na]+ 264.94054 148.8
[M-H]- 240.94404 140.9
[M+NH4]+ 259.98514 157.4
[M+K]+ 280.91448 136.7
[M+H-H2O]+ 224.94858 134.1
[M+HCOO]- 286.94952 153.1
[M+CH3COO]- 300.96517 150.3
[M+Na-2H]- 262.92599 141.5
[M]+ 241.95077 155.7
[M]- 241.95187 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