CID 273132

2605-14-3

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
COC1=CC2=C(C=C1)N=C(S2)Cl
InChI
InChI=1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChIKey
FVUFTABOJFRHSU-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

507
Patents

198.98586 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe