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]+ 198.036116 135.2
[M+Na]+ 220.018058 146.0
[M-H]- 196.021564 135.1
[M+NH4]+ 215.062663 155.9
[M+K]+ 235.991998 141.9
[M+H-H2O]+ 180.026100 128.0
[M+HCOO]- 242.027041 152.6
[M+CH3COO]- 256.042691 180.3
[M+Na-2H]- 218.003506 142.1
[M]+ 197.02829142 130.4
[M]- 197.02938858 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