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]+ 199.00913 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.