CID 4068381

864409-91-6

Structural Information

Molecular Formula
C10H6ClNOS
SMILES
C#CCOC1=NC2=C(S1)C=CC=C2Cl
InChI
InChI=1S/C10H6ClNOS/c1-2-6-13-10-12-9-7(11)4-3-5-8(9)14-10/h1,3-5H,6H2
InChIKey
YNCKHELQYHUVKZ-UHFFFAOYSA-N
Compound name
4-chloro-2-prop-2-ynoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.98586 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99314 138.9
[M+Na]+ 245.97508 153.4
[M+NH4]+ 241.01968 145.3
[M+K]+ 261.94902 142.6
[M-H]- 221.97858 133.5
[M+Na-2H]- 243.96053 142.9
[M]+ 222.98531 139.4
[M]- 222.98641 139.4
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.