CID 83853722

1h-indole-2-carboxylic acid, 4-chloro-3-fluoro-

Structural Information

Molecular Formula
C9H5ClFNO2
SMILES
C1=CC2=C(C(=C1)Cl)C(=C(N2)C(=O)O)F
InChI
InChI=1S/C9H5ClFNO2/c10-4-2-1-3-5-6(4)7(11)8(12-5)9(13)14/h1-3,12H,(H,13,14)
InChIKey
SUNPAROFINCFHU-UHFFFAOYSA-N
Compound name
4-chloro-3-fluoro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.99928 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00656 137.4
[M+Na]+ 235.98850 149.9
[M-H]- 211.99200 138.0
[M+NH4]+ 231.03310 157.8
[M+K]+ 251.96244 143.9
[M+H-H2O]+ 195.99654 132.2
[M+HCOO]- 257.99748 153.8
[M+CH3COO]- 272.01313 180.0
[M+Na-2H]- 233.97395 142.1
[M]+ 212.99873 138.8
[M]- 212.99983 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

No patent data available for this compound.