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 146.5
[M+Na]+ 284.92626 159.3
[M-H]- 260.92976 149.0
[M+NH4]+ 279.97086 163.8
[M+K]+ 300.90020 153.6
[M+H-H2O]+ 244.93430 141.5
[M+HCOO]- 306.93524 153.0
[M+CH3COO]- 320.95089 188.5
[M+Na-2H]- 282.91171 153.5
[M]+ 261.93649 152.5
[M]- 261.93759 152.5
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.