CID 16313512

7-bromo-4-fluoro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C9H5BrFNO2
SMILES
C1=CC(=C2C(=C1F)C=C(N2)C(=O)O)Br
InChI
InChI=1S/C9H5BrFNO2/c10-5-1-2-6(11)4-3-7(9(13)14)12-8(4)5/h1-3,12H,(H,13,14)
InChIKey
HOSBAJJUPHKMGW-UHFFFAOYSA-N
Compound name
7-bromo-4-fluoro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

256.94876 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95604 145.6
[M+Na]+ 279.93798 159.9
[M-H]- 255.94148 149.0
[M+NH4]+ 274.98258 166.8
[M+K]+ 295.91192 147.4
[M+H-H2O]+ 239.94602 145.5
[M+HCOO]- 301.94696 164.2
[M+CH3COO]- 315.96261 186.5
[M+Na-2H]- 277.92343 151.3
[M]+ 256.94821 163.5
[M]- 256.94931 163.5
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