CID 2776254

1,3-benzothiazole-2-carbonyl chloride

Structural Information

Molecular Formula
C8H4ClNOS
SMILES
C1=CC=C2C(=C1)N=C(S2)C(=O)Cl
InChI
InChI=1S/C8H4ClNOS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H
InChIKey
AOIGQLLPWDXVGB-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

196.97021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.97749 135.7
[M+Na]+ 219.95943 150.4
[M+NH4]+ 215.00403 145.9
[M+K]+ 235.93337 142.7
[M-H]- 195.96293 138.1
[M+Na-2H]- 217.94488 142.8
[M]+ 196.96966 139.3
[M]- 196.97076 139.3
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