CID 71464232

960535-39-1

Structural Information

Molecular Formula
C7H2ClF2NS
SMILES
C1=C2C(=CC(=C1F)F)SC(=N2)Cl
InChI
InChI=1S/C7H2ClF2NS/c8-7-11-5-1-3(9)4(10)2-6(5)12-7/h1-2H
InChIKey
YMEIUMKOBQLKJR-UHFFFAOYSA-N
Compound name
2-chloro-5,6-difluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.95645 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96373 130.1
[M+Na]+ 227.94567 145.0
[M-H]- 203.94917 132.6
[M+NH4]+ 222.99027 153.3
[M+K]+ 243.91961 139.5
[M+H-H2O]+ 187.95371 124.3
[M+HCOO]- 249.95465 144.4
[M+CH3COO]- 263.97030 145.3
[M+Na-2H]- 225.93112 134.1
[M]+ 204.95590 134.4
[M]- 204.95700 134.4
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

patents stripe