CID 25113647

5-chloro-6-fluoro-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C9H5ClFNO2
SMILES
C1=CNC2=C(C(=C(C=C21)Cl)F)C(=O)O
InChI
InChI=1S/C9H5ClFNO2/c10-5-3-4-1-2-12-8(4)6(7(5)11)9(13)14/h1-3,12H,(H,13,14)
InChIKey
IRIKKRIFUYYKKD-UHFFFAOYSA-N
Compound name
5-chloro-6-fluoro-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

212.99928 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00656 137.9
[M+Na]+ 235.98850 151.0
[M+NH4]+ 231.03310 145.5
[M+K]+ 251.96244 147.0
[M-H]- 211.99200 137.0
[M+Na-2H]- 233.97395 142.8
[M]+ 212.99873 139.6
[M]- 212.99983 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

patents stripe