CID 71758215

1443981-83-6

Structural Information

Molecular Formula
C9H5F2NO2
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)C2(F)F
InChI
InChI=1S/C9H5F2NO2/c10-9(11)6-4-2-1-3-5(6)7(13)12-8(9)14/h1-4H,(H,12,13,14)
InChIKey
CNHMPGXYLZDVCT-UHFFFAOYSA-N
Compound name
4,4-difluoroisoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.02884 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03612 135.2
[M+Na]+ 220.01806 146.0
[M-H]- 196.02156 135.1
[M+NH4]+ 215.06266 155.9
[M+K]+ 235.99200 141.9
[M+H-H2O]+ 180.02610 128.0
[M+HCOO]- 242.02704 152.6
[M+CH3COO]- 256.04269 180.3
[M+Na-2H]- 218.00351 142.1
[M]+ 197.02829 130.4
[M]- 197.02939 130.4
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

patents stripe