CID 46786036

1206117-96-5

Structural Information

Molecular Formula
C9H7ClN2O4S
SMILES
CN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
InChI
InChI=1S/C9H7ClN2O4S/c1-12-8(13)6-4-5(17(10,15)16)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKey
BQTOFEYWJPJCJM-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dioxo-1H-quinazoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.9815 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98878 155.3
[M+Na]+ 296.97072 169.7
[M+NH4]+ 292.01532 161.6
[M+K]+ 312.94466 162.5
[M-H]- 272.97422 154.4
[M+Na-2H]- 294.95617 159.9
[M]+ 273.98095 157.7
[M]- 273.98205 157.7
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

patents stripe