CID 43455753

4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl2N2O2S2
SMILES
C1=C(SC2=C1C(=NC=N2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl2N2O2S2/c7-5-3-1-4(14(8,11)12)13-6(3)10-2-9-5/h1-2H
InChIKey
BUWGXOIEWUGBOA-UHFFFAOYSA-N
Compound name
4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.89346 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.90074 149.0
[M+Na]+ 290.88268 163.6
[M-H]- 266.88618 152.4
[M+NH4]+ 285.92728 168.4
[M+K]+ 306.85662 157.7
[M+H-H2O]+ 250.89072 145.6
[M+HCOO]- 312.89166 153.0
[M+CH3COO]- 326.90731 162.3
[M+Na-2H]- 288.86813 152.7
[M]+ 267.89291 157.0
[M]- 267.89401 157.0
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.