CID 119025294

1261629-26-8

Structural Information

Molecular Formula
C8H4ClF2NOS
SMILES
C1=CC2=C(C(=C1)OC(F)F)SC(=N2)Cl
InChI
InChI=1S/C8H4ClF2NOS/c9-7-12-4-2-1-3-5(6(4)14-7)13-8(10)11/h1-3,8H
InChIKey
WUXHUZJAPXOFBN-UHFFFAOYSA-N
Compound name
2-chloro-7-(difluoromethoxy)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97431 138.4
[M+Na]+ 257.95625 151.5
[M-H]- 233.95975 140.4
[M+NH4]+ 253.00085 159.9
[M+K]+ 273.93019 146.7
[M+H-H2O]+ 217.96429 132.1
[M+HCOO]- 279.96523 151.6
[M+CH3COO]- 293.98088 152.5
[M+Na-2H]- 255.94170 141.6
[M]+ 234.96648 143.5
[M]- 234.96758 143.5
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.