CID 55276589

2-chloro-7-methoxybenzo[d]thiazole

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
COC1=CC=CC2=C1SC(=N2)Cl
InChI
InChI=1S/C8H6ClNOS/c1-11-6-4-2-3-5-7(6)12-8(9)10-5/h2-4H,1H3
InChIKey
VXJOAPOPPBDFGR-UHFFFAOYSA-N
Compound name
2-chloro-7-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

198.98586 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99314 136.1
[M+Na]+ 221.97508 151.6
[M+NH4]+ 217.01968 146.8
[M+K]+ 237.94902 143.3
[M-H]- 197.97858 139.1
[M+Na-2H]- 219.96053 143.4
[M]+ 198.98531 140.1
[M]- 198.98641 140.1
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

patents stripe