CID 62921995

2219407-64-2

Structural Information

Molecular Formula
C7H8ClNOS
SMILES
C1COCC2=C1N=C(S2)CCl
InChI
InChI=1S/C7H8ClNOS/c8-3-7-9-5-1-2-10-4-6(5)11-7/h1-4H2
InChIKey
GNIGCJDBKCCTSO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00151 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00879 134.7
[M+Na]+ 211.99073 144.6
[M-H]- 187.99423 138.8
[M+NH4]+ 207.03533 156.4
[M+K]+ 227.96467 142.3
[M+H-H2O]+ 171.99877 130.3
[M+HCOO]- 233.99971 146.3
[M+CH3COO]- 248.01536 148.6
[M+Na-2H]- 209.97618 138.9
[M]+ 189.00096 137.7
[M]- 189.00206 137.7
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.