CID 3018160

71501-29-6

Structural Information

Molecular Formula
C7H4ClNOS
SMILES
C1=CC(=C2C(=C1)SC(=N2)Cl)O
InChI
InChI=1S/C7H4ClNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H
InChIKey
SVGBAVVCBYGVCS-UHFFFAOYSA-N
Compound name
2-chloro-1,3-benzothiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.97021 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.977486 130.7
[M+Na]+ 207.959428 144.1
[M-H]- 183.962934 134.2
[M+NH4]+ 203.004033 153.7
[M+K]+ 223.933368 139.0
[M+H-H2O]+ 167.967470 126.8
[M+HCOO]- 229.968411 145.8
[M+CH3COO]- 243.984061 145.8
[M+Na-2H]- 205.944876 136.0
[M]+ 184.96966142 136.1
[M]- 184.97075858 136.1
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