CID 136560014

4-(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C14H8BrFN2O3S
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=O)N2)S(=O)(=O)F
InChI
InChI=1S/C14H8BrFN2O3S/c15-9-3-6-12-11(7-9)14(19)18-13(17-12)8-1-4-10(5-2-8)22(16,20)21/h1-7H,(H,17,18,19)
InChIKey
IBLFODURRSRLGW-UHFFFAOYSA-N
Compound name
4-(6-bromo-4-oxo-3H-quinazolin-2-yl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.9423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.94958 165.7
[M+Na]+ 404.93152 180.3
[M-H]- 380.93502 171.8
[M+NH4]+ 399.97612 180.0
[M+K]+ 420.90546 166.2
[M+H-H2O]+ 364.93956 164.3
[M+HCOO]- 426.94050 177.4
[M+CH3COO]- 440.95615 178.7
[M+Na-2H]- 402.91697 173.0
[M]+ 381.94175 185.8
[M]- 381.94285 185.8
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.