CID 16782778

749240-57-1

Structural Information

Molecular Formula
C9H6FNO2
SMILES
CC1=CC(=CC2=C1NC(=O)C2=O)F
InChI
InChI=1S/C9H6FNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
UTQPVTUKUNIWMB-UHFFFAOYSA-N
Compound name
5-fluoro-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

179.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.045526 132.1
[M+Na]+ 202.027468 143.7
[M-H]- 178.030974 133.8
[M+NH4]+ 197.072073 153.8
[M+K]+ 218.001408 139.8
[M+H-H2O]+ 162.035510 126.3
[M+HCOO]- 224.036451 152.8
[M+CH3COO]- 238.052101 178.7
[M+Na-2H]- 200.012916 136.3
[M]+ 179.03770142 130.7
[M]- 179.03879858 130.7
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