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

40
Patents

212.99928 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.006556 137.4
[M+Na]+ 235.988498 149.9
[M-H]- 211.992004 138.0
[M+NH4]+ 231.033103 157.8
[M+K]+ 251.962438 143.9
[M+H-H2O]+ 195.996540 132.2
[M+HCOO]- 257.997481 153.8
[M+CH3COO]- 272.013131 180.0
[M+Na-2H]- 233.973946 142.1
[M]+ 212.99873142 138.8
[M]- 212.99982858 138.8
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