CID 117283373

2-(7-fluoro-1h-indol-6-yl)acetic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
C1=CC(=C(C2=C1C=CN2)F)CC(=O)O
InChI
InChI=1S/C10H8FNO2/c11-9-7(5-8(13)14)2-1-6-3-4-12-10(6)9/h1-4,12H,5H2,(H,13,14)
InChIKey
ZNBMQLUGSIKRRR-UHFFFAOYSA-N
Compound name
2-(7-fluoro-1H-indol-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05391 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 138.5
[M+Na]+ 216.04313 150.2
[M+NH4]+ 211.08773 145.7
[M+K]+ 232.01707 146.5
[M-H]- 192.04663 137.4
[M+Na-2H]- 214.02858 143.1
[M]+ 193.05336 139.6
[M]- 193.05446 139.6
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.