CID 125479581

1592629-86-1

Structural Information

Molecular Formula
C11H6F3NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC(F)(F)F
InChI
InChI=1S/C11H6F3NO4/c12-11(13,14)5-8(16)19-15-9(17)6-3-1-2-4-7(6)10(15)18/h1-4H,5H2
InChIKey
JRSGRSAHRYKKOE-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0249 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03218 152.2
[M+Na]+ 296.01412 162.7
[M-H]- 272.01762 152.2
[M+NH4]+ 291.05872 170.1
[M+K]+ 311.98806 159.8
[M+H-H2O]+ 256.02216 144.1
[M+HCOO]- 318.02310 169.6
[M+CH3COO]- 332.03875 194.9
[M+Na-2H]- 293.99957 155.2
[M]+ 273.02435 151.5
[M]- 273.02545 151.5
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.