CID 7059200

3507-28-6

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
COC1=CC2=C(C=C1)SC(=N2)Cl
InChI
InChI=1S/C8H6ClNOS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChIKey
UUERHMFUYYXLRE-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

198.98586 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.993136 135.2
[M+Na]+ 221.975078 148.7
[M-H]- 197.978584 140.0
[M+NH4]+ 217.019683 158.4
[M+K]+ 237.949018 144.3
[M+H-H2O]+ 181.983120 130.8
[M+HCOO]- 243.984061 151.5
[M+CH3COO]- 257.999711 150.6
[M+Na-2H]- 219.960526 140.4
[M]+ 198.98531142 142.8
[M]- 198.98640858 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