CID 22710146

2-chloro-4h,6h,7h-pyrano[4,3-d][1,3]thiazole

Structural Information

Molecular Formula
C6H6ClNOS
SMILES
C1COCC2=C1N=C(S2)Cl
InChI
InChI=1S/C6H6ClNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2
InChIKey
BTSMTJZXDAFYOI-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

174.98586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99314 130.1
[M+Na]+ 197.97508 140.5
[M-H]- 173.97858 134.4
[M+NH4]+ 193.01968 152.4
[M+K]+ 213.94902 138.4
[M+H-H2O]+ 157.98312 125.9
[M+HCOO]- 219.98406 142.0
[M+CH3COO]- 233.99971 144.4
[M+Na-2H]- 195.96053 134.8
[M]+ 174.98531 132.8
[M]- 174.98641 132.8
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