CID 75480356

2-(4,4-difluoro-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid

Structural Information

Molecular Formula
C11H7F2NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)C2(F)F)CC(=O)O
InChI
InChI=1S/C11H7F2NO4/c12-11(13)7-4-2-1-3-6(7)9(17)14(10(11)18)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKey
YNOUAMNTRVEYJO-UHFFFAOYSA-N
Compound name
2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04160 154.2
[M+Na]+ 278.02354 164.2
[M+NH4]+ 273.06814 160.4
[M+K]+ 293.99748 158.0
[M-H]- 254.02704 151.0
[M+Na-2H]- 276.00899 157.4
[M]+ 255.03377 154.4
[M]- 255.03487 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.