CID 117273681

2-chloroquinazoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H4Cl2N2O2S
SMILES
C1=CC2=NC(=NC=C2C=C1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O2S/c9-8-11-4-5-3-6(15(10,13)14)1-2-7(5)12-8/h1-4H
InChIKey
AGHZQAKXAIJSDL-UHFFFAOYSA-N
Compound name
2-chloroquinazoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.93704 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94432 151.4
[M+Na]+ 284.92626 167.3
[M+NH4]+ 279.97086 160.1
[M+K]+ 300.90020 158.0
[M-H]- 260.92976 152.4
[M+Na-2H]- 282.91171 158.3
[M]+ 261.93649 155.1
[M]- 261.93759 155.1
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.