CID 11492033

6-fluoro-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C9H6FNO2
SMILES
C1=CNC2=CC(=C(C=C21)C(=O)O)F
InChI
InChI=1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13)
InChIKey
MDHOVFSMMFAXIY-UHFFFAOYSA-N
Compound name
6-fluoro-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.03825 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 131.9
[M+Na]+ 202.02747 142.7
[M-H]- 178.03097 132.3
[M+NH4]+ 197.07207 152.5
[M+K]+ 218.00141 138.5
[M+H-H2O]+ 162.03551 125.7
[M+HCOO]- 224.03645 152.9
[M+CH3COO]- 238.05210 175.0
[M+Na-2H]- 200.01292 137.7
[M]+ 179.03770 130.9
[M]- 179.03880 130.9
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