CID 373906

Nsc650912

Structural Information

Molecular Formula
C14H14FNO3
SMILES
C1CCC(=O)C(C1)C2(C3=C(C=C(C=C3)F)NC2=O)O
InChI
InChI=1S/C14H14FNO3/c15-8-5-6-9-11(7-8)16-13(18)14(9,19)10-3-1-2-4-12(10)17/h5-7,10,19H,1-4H2,(H,16,18)
InChIKey
WJXZIMWBGPSBFK-UHFFFAOYSA-N
Compound name
6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09576 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10304 157.7
[M+Na]+ 286.08498 165.8
[M-H]- 262.08848 160.1
[M+NH4]+ 281.12958 176.4
[M+K]+ 302.05892 160.4
[M+H-H2O]+ 246.09302 150.6
[M+HCOO]- 308.09396 172.4
[M+CH3COO]- 322.10961 190.2
[M+Na-2H]- 284.07043 159.1
[M]+ 263.09521 151.2
[M]- 263.09631 151.2
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.