CID 163201314

1960404-19-6

Structural Information

Molecular Formula
C16H10FNO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H10FNO4/c17-11-7-5-10(6-8-11)9-14(19)22-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKey
XEGMCMDUIYSJBC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0594 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06668 163.6
[M+Na]+ 322.04862 173.5
[M-H]- 298.05212 169.4
[M+NH4]+ 317.09322 180.2
[M+K]+ 338.02256 169.4
[M+H-H2O]+ 282.05666 155.1
[M+HCOO]- 344.05760 184.4
[M+CH3COO]- 358.07325 202.0
[M+Na-2H]- 320.03407 165.6
[M]+ 299.05885 165.5
[M]- 299.05995 165.5
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.