CID 2741177

5-fluoro-3-hydroxy-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1=CC2=C(C=C1F)C(C(=O)N2)O
InChI
InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKey
XYDTZHMQTYEJQN-UHFFFAOYSA-N
Compound name
5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.03825 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 129.6
[M+Na]+ 190.027468 140.1
[M-H]- 166.030974 129.7
[M+NH4]+ 185.072073 150.9
[M+K]+ 206.001408 136.0
[M+H-H2O]+ 150.035510 123.9
[M+HCOO]- 212.036451 149.0
[M+CH3COO]- 226.052101 172.8
[M+Na-2H]- 188.012916 134.5
[M]+ 167.03770142 126.4
[M]- 167.03879858 126.4
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