CID 3004409

Nsc650913

Structural Information

Molecular Formula
C14H12FNO2
SMILES
C1CCC(=O)/C(=C/2\C3=C(C=C(C=C3)F)NC2=O)/C1
InChI
InChI=1S/C14H12FNO2/c15-8-5-6-9-11(7-8)16-14(18)13(9)10-3-1-2-4-12(10)17/h5-7H,1-4H2,(H,16,18)/b13-10+
InChIKey
HYCBNNNUQTZJFY-JLHYYAGUSA-N
Compound name
(3E)-6-fluoro-3-(2-oxocyclohexylidene)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0852 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09248 153.4
[M+Na]+ 268.07442 161.5
[M-H]- 244.07792 156.9
[M+NH4]+ 263.11902 171.7
[M+K]+ 284.04836 155.5
[M+H-H2O]+ 228.08246 145.8
[M+HCOO]- 290.08340 169.7
[M+CH3COO]- 304.09905 164.7
[M+Na-2H]- 266.05987 154.0
[M]+ 245.08465 146.2
[M]- 245.08575 146.2
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.