CID 145913409

5-cyano-4-fluoro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H5FN2O2
SMILES
C1=CC2=C(C=C(N2)C(=O)O)C(=C1C#N)F
InChI
InChI=1S/C10H5FN2O2/c11-9-5(4-12)1-2-7-6(9)3-8(13-7)10(14)15/h1-3,13H,(H,14,15)
InChIKey
POXWSBPICZBMDW-UHFFFAOYSA-N
Compound name
5-cyano-4-fluoro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.040786 142.8
[M+Na]+ 227.022728 155.6
[M-H]- 203.026234 142.6
[M+NH4]+ 222.067333 160.3
[M+K]+ 242.996668 149.7
[M+H-H2O]+ 187.030770 129.8
[M+HCOO]- 249.031711 159.9
[M+CH3COO]- 263.047361 192.7
[M+Na-2H]- 225.008176 146.6
[M]+ 204.03296142 137.1
[M]- 204.03405858 137.1
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.