CID 145866902

2137746-00-8

Structural Information

Molecular Formula
C8H6FNO4S
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)F)NC(=O)O1
InChI
InChI=1S/C8H6FNO4S/c9-15(12,13)6-1-2-7-5(3-6)4-14-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
DNRHXBTUMKDXSK-UHFFFAOYSA-N
Compound name
2-oxo-1,4-dihydro-3,1-benzoxazine-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00015 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00743 141.4
[M+Na]+ 253.98937 151.1
[M-H]- 229.99287 142.9
[M+NH4]+ 249.03397 157.6
[M+K]+ 269.96331 148.5
[M+H-H2O]+ 213.99741 135.0
[M+HCOO]- 275.99835 153.4
[M+CH3COO]- 290.01400 181.8
[M+Na-2H]- 251.97482 148.0
[M]+ 230.99960 141.3
[M]- 231.00070 141.3
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.