CID 16791214

4-fluoro-7-methylisatin

Structural Information

Molecular Formula
C9H6FNO2
SMILES
CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2
InChI
InChI=1S/C9H6FNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
GMOIUCVMHIKMDC-UHFFFAOYSA-N
Compound name
4-fluoro-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

179.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 136.0
[M+Na]+ 202.02747 147.8
[M+NH4]+ 197.07207 143.4
[M+K]+ 218.00141 143.9
[M-H]- 178.03097 135.2
[M+Na-2H]- 200.01292 139.4
[M]+ 179.03770 137.1
[M]- 179.03880 137.1
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