CID 13949448

118221-28-6

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CNC1=NC2=C(S1)C=CC=C2Cl
InChI
InChI=1S/C8H7ClN2S/c1-10-8-11-7-5(9)3-2-4-6(7)12-8/h2-4H,1H3,(H,10,11)
InChIKey
ICAWLEYCNOWRHI-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.00185 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.009126 135.9
[M+Na]+ 220.991068 148.6
[M-H]- 196.994574 140.5
[M+NH4]+ 216.035673 158.8
[M+K]+ 236.965008 143.4
[M+H-H2O]+ 180.999110 131.2
[M+HCOO]- 243.000051 152.9
[M+CH3COO]- 257.015701 150.8
[M+Na-2H]- 218.976516 141.6
[M]+ 198.00130142 141.4
[M]- 198.00239858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.