CID 165953840

2137744-50-2

Structural Information

Molecular Formula
C10H9FN2O4S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)F)C(=O)N(C1=O)C
InChI
InChI=1S/C10H9FN2O4S/c1-12-8-4-3-6(18(11,16)17)5-7(8)9(14)13(2)10(12)15/h3-5H,1-2H3
InChIKey
KBUOYVPDYCASNH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0267 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03398 152.6
[M+Na]+ 295.01592 166.4
[M-H]- 271.01942 154.9
[M+NH4]+ 290.06052 168.6
[M+K]+ 310.98986 162.0
[M+H-H2O]+ 255.02396 145.4
[M+HCOO]- 317.02490 167.6
[M+CH3COO]- 331.04055 195.3
[M+Na-2H]- 293.00137 157.5
[M]+ 272.02615 158.1
[M]- 272.02725 158.1
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.