CID 1818553

5-fluoro-1-methyl-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6FNO2
SMILES
CN1C2=C(C=C(C=C2)F)C(=O)C1=O
InChI
InChI=1S/C9H6FNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
VHJRLOILUKMNEY-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

179.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 131.2
[M+Na]+ 202.02747 143.3
[M-H]- 178.03097 134.3
[M+NH4]+ 197.07207 153.6
[M+K]+ 218.00141 140.2
[M+H-H2O]+ 162.03551 125.1
[M+HCOO]- 224.03645 153.5
[M+CH3COO]- 238.05210 181.3
[M+Na-2H]- 200.01292 135.9
[M]+ 179.03770 131.7
[M]- 179.03880 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe