CID 16227045

2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H9FN2O3S
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCS(=O)(=O)F
InChI
InChI=1S/C10H9FN2O3S/c11-17(15,16)6-5-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2
InChIKey
UPXFUDMPGUKCKT-UHFFFAOYSA-N
Compound name
2-(4-oxoquinazolin-3-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0318 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03908 152.9
[M+Na]+ 279.02102 165.4
[M+NH4]+ 274.06562 159.2
[M+K]+ 294.99496 158.0
[M-H]- 255.02452 151.5
[M+Na-2H]- 277.00647 158.0
[M]+ 256.03125 154.6
[M]- 256.03235 154.6
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

No patent data available for this compound.