CID 9813012

2-(4-fluoro-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
C1=CC2=C(C(=C1)F)C(=CN2)CC(=O)O
InChI
InChI=1S/C10H8FNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKey
QBQZALKPPLUCQY-UHFFFAOYSA-N
Compound name
2-(4-fluoro-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

193.05391 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 136.6
[M+Na]+ 216.04313 147.0
[M-H]- 192.04663 136.8
[M+NH4]+ 211.08773 156.6
[M+K]+ 232.01707 142.6
[M+H-H2O]+ 176.05117 130.3
[M+HCOO]- 238.05211 157.3
[M+CH3COO]- 252.06776 178.0
[M+Na-2H]- 214.02858 141.9
[M]+ 193.05336 136.0
[M]- 193.05446 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe