CID 162341533

2248328-40-5

Structural Information

Molecular Formula
C13H9F2NO4
SMILES
C1C(CC1(F)F)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H9F2NO4/c14-13(15)5-7(6-13)12(19)20-16-10(17)8-3-1-2-4-9(8)11(16)18/h1-4,7H,5-6H2
InChIKey
XEUADVGORDQTON-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04996 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05724 155.1
[M+Na]+ 304.03918 163.9
[M-H]- 280.04268 159.5
[M+NH4]+ 299.08378 168.0
[M+K]+ 320.01312 163.7
[M+H-H2O]+ 264.04722 143.0
[M+HCOO]- 326.04816 172.6
[M+CH3COO]- 340.06381 200.5
[M+Na-2H]- 302.02463 156.6
[M]+ 281.04941 163.4
[M]- 281.05051 163.4
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.