CID 135702410

4-oxo-3,4-dihydroquinazoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClN2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)NC=N2
InChI
InChI=1S/C8H5ClN2O3S/c9-15(13,14)5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChIKey
OVVWJBGQGDOQIG-UHFFFAOYSA-N
Compound name
4-oxo-3H-quinazoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

243.97095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97823 144.5
[M+Na]+ 266.96017 156.9
[M-H]- 242.96367 146.2
[M+NH4]+ 262.00477 161.3
[M+K]+ 282.93411 151.1
[M+H-H2O]+ 226.96821 139.3
[M+HCOO]- 288.96915 155.1
[M+CH3COO]- 302.98480 182.7
[M+Na-2H]- 264.94562 152.0
[M]+ 243.97040 148.6
[M]- 243.97150 148.6
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