CID 17792875

1035805-54-9

Structural Information

Molecular Formula
C9H8FNO
SMILES
CC1C2=C(C=CC(=C2)F)NC1=O
InChI
InChI=1S/C9H8FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChIKey
CCNOCDCDYUDYCD-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

165.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 130.6
[M+Na]+ 188.04821 141.2
[M-H]- 164.05171 131.9
[M+NH4]+ 183.09281 152.8
[M+K]+ 204.02215 137.3
[M+H-H2O]+ 148.05625 124.6
[M+HCOO]- 210.05719 151.0
[M+CH3COO]- 224.07284 176.3
[M+Na-2H]- 186.03366 135.4
[M]+ 165.05844 128.1
[M]- 165.05954 128.1
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

patents stripe