CID 55276589

1175277-80-1

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

17
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 135.2
[M+Na]+ 221.97508 148.7
[M-H]- 197.97858 140.0
[M+NH4]+ 217.01968 158.4
[M+K]+ 237.94902 144.3
[M+H-H2O]+ 181.98312 130.8
[M+HCOO]- 243.98406 151.5
[M+CH3COO]- 257.99971 150.6
[M+Na-2H]- 219.96053 140.4
[M]+ 198.98531 142.8
[M]- 198.98641 142.8
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