CID 80051907

2-(7-fluoro-2-oxo-2,3-dihydro-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C1=CC2=C(C(=C1)F)NC(=O)C2CC(=O)O
InChI
InChI=1S/C10H8FNO3/c11-7-3-1-2-5-6(4-8(13)14)10(15)12-9(5)7/h1-3,6H,4H2,(H,12,15)(H,13,14)
InChIKey
KENIHQJWLICTGU-UHFFFAOYSA-N
Compound name
2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04883 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.056106 140.9
[M+Na]+ 232.038048 150.3
[M-H]- 208.041554 140.7
[M+NH4]+ 227.082653 160.2
[M+K]+ 248.011988 146.3
[M+H-H2O]+ 192.046090 134.8
[M+HCOO]- 254.047031 159.0
[M+CH3COO]- 268.062681 181.1
[M+Na-2H]- 230.023496 143.6
[M]+ 209.04828142 138.5
[M]- 209.04937858 138.5
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.