CID 71779010

855463-87-5

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]+ 199.009126 136.5
[M+Na]+ 220.991068 150.0
[M-H]- 196.994574 140.9
[M+NH4]+ 216.035673 159.4
[M+K]+ 236.965008 144.4
[M+H-H2O]+ 180.999110 132.0
[M+HCOO]- 243.000051 152.8
[M+CH3COO]- 257.015701 151.4
[M+Na-2H]- 218.976516 140.4
[M]+ 198.00130142 141.3
[M]- 198.00239858 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.