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]+ 205.04079 142.8
[M+Na]+ 227.02273 155.6
[M-H]- 203.02623 142.6
[M+NH4]+ 222.06733 160.3
[M+K]+ 242.99667 149.7
[M+H-H2O]+ 187.03077 129.8
[M+HCOO]- 249.03171 159.9
[M+CH3COO]- 263.04736 192.7
[M+Na-2H]- 225.00818 146.6
[M]+ 204.03296 137.1
[M]- 204.03406 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.