CID 2049893

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

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CC1=C2C(=C(C=C1)Cl)SC(=N2)N
InChI
InChI=1S/C8H7ClN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKey
KZDLRPCFYGSRNU-UHFFFAOYSA-N
Compound name
7-chloro-4-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

198.00185 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe