CID 29939761

948553-68-2

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1C2=C(C=CC(=C2F)O)NC1=O
InChI
InChI=1S/C8H6FNO2/c9-8-4-3-7(12)10-5(4)1-2-6(8)11/h1-2,11H,3H2,(H,10,12)
InChIKey
XVAYHKRLBOJOQF-UHFFFAOYSA-N
Compound name
4-fluoro-5-hydroxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.03825 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04553 129.6
[M+Na]+ 190.02747 140.1
[M-H]- 166.03097 129.7
[M+NH4]+ 185.07207 150.9
[M+K]+ 206.00141 136.0
[M+H-H2O]+ 150.03551 123.9
[M+HCOO]- 212.03645 149.0
[M+CH3COO]- 226.05210 172.8
[M+Na-2H]- 188.01292 134.5
[M]+ 167.03770 126.4
[M]- 167.03880 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.