CID 71779010

5-chloro-2-methyl-1,3-benzothiazol-4-amine

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CC1=NC2=C(S1)C=CC(=C2N)Cl
InChI
InChI=1S/C8H7ClN2S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,10H2,1H3
InChIKey
YVPRZICWZISZCJ-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1,3-benzothiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.00185 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00913 136.5
[M+Na]+ 220.99107 150.0
[M-H]- 196.99457 140.9
[M+NH4]+ 216.03567 159.4
[M+K]+ 236.96501 144.4
[M+H-H2O]+ 180.99911 132.0
[M+HCOO]- 243.00005 152.8
[M+CH3COO]- 257.01570 151.4
[M+Na-2H]- 218.97652 140.4
[M]+ 198.00130 141.3
[M]- 198.00240 141.3
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.