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

37
Patents

165.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 130.6
[M+Na]+ 188.048208 141.2
[M-H]- 164.051714 131.9
[M+NH4]+ 183.092813 152.8
[M+K]+ 204.022148 137.3
[M+H-H2O]+ 148.056250 124.6
[M+HCOO]- 210.057191 151.0
[M+CH3COO]- 224.072841 176.3
[M+Na-2H]- 186.033656 135.4
[M]+ 165.05844142 128.1
[M]- 165.05953858 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