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]+ 232.007426 141.4
[M+Na]+ 253.989368 151.1
[M-H]- 229.992874 142.9
[M+NH4]+ 249.033973 157.6
[M+K]+ 269.963308 148.5
[M+H-H2O]+ 213.997410 135.0
[M+HCOO]- 275.998351 153.4
[M+CH3COO]- 290.014001 181.8
[M+Na-2H]- 251.974816 148.0
[M]+ 230.99960142 141.3
[M]- 231.00069858 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.