CID 125511888

5-bromo-1-ethyl-3-formyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H10BrNO3
SMILES
CCN1C2=C(C=C(C=C2)Br)C(=C1C(=O)O)C=O
InChI
InChI=1S/C12H10BrNO3/c1-2-14-10-4-3-7(13)5-8(10)9(6-15)11(14)12(16)17/h3-6H,2H2,1H3,(H,16,17)
InChIKey
OFCYVRBLJQASFD-UHFFFAOYSA-N
Compound name
5-bromo-1-ethyl-3-formylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99168 158.5
[M+Na]+ 317.97362 161.9
[M+NH4]+ 313.01822 161.9
[M+K]+ 333.94756 163.8
[M-H]- 293.97712 157.4
[M+Na-2H]- 315.95907 159.5
[M]+ 294.98385 157.3
[M]- 294.98495 157.3
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.