CID 13772185

103360-96-9

Structural Information

Molecular Formula
C16H13FN2O4
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)C3=C(C=C4C(=C3)NC(=O)CO4)F
InChI
InChI=1S/C16H13FN2O4/c17-10-5-13-11(18-14(20)7-23-13)6-12(10)19-15(21)8-3-1-2-4-9(8)16(19)22/h5-6H,1-4,7H2,(H,18,20)
InChIKey
XIIZBKYYLWMIER-UHFFFAOYSA-N
Compound name
2-(7-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

10
Patents

316.08594 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09322 170.4
[M+Na]+ 339.07516 179.3
[M-H]- 315.07866 174.3
[M+NH4]+ 334.11976 183.9
[M+K]+ 355.04910 174.5
[M+H-H2O]+ 299.08320 161.5
[M+HCOO]- 361.08414 182.1
[M+CH3COO]- 375.09979 180.4
[M+Na-2H]- 337.06061 170.8
[M]+ 316.08539 166.1
[M]- 316.08649 166.1
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.