CID 2726858

34551-17-2

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CNC1=NC2=C(S1)C=CC(=C2)Cl
InChI
InChI=1S/C8H7ClN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKey
ZIYKFNBOSWDWSJ-UHFFFAOYSA-N
Compound name
5-chloro-N-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

198.00185 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00913 135.9
[M+Na]+ 220.99107 148.6
[M-H]- 196.99457 140.5
[M+NH4]+ 216.03567 158.8
[M+K]+ 236.96501 143.4
[M+H-H2O]+ 180.99911 131.2
[M+HCOO]- 243.00005 152.9
[M+CH3COO]- 257.01570 150.8
[M+Na-2H]- 218.97652 141.6
[M]+ 198.00130 141.4
[M]- 198.00240 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe