CID 975763

(5-bromo-3-formyl-1h-indol-1-yl)acetic acid

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
C1=CC2=C(C=C1Br)C(=CN2CC(=O)O)C=O
InChI
InChI=1S/C11H8BrNO3/c12-8-1-2-10-9(3-8)7(6-14)4-13(10)5-11(15)16/h1-4,6H,5H2,(H,15,16)
InChIKey
XCHPEKOIGNYXTJ-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-formylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.96875 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 154.3
[M+Na]+ 303.95797 157.6
[M+NH4]+ 299.00257 157.9
[M+K]+ 319.93191 159.5
[M-H]- 279.96147 153.2
[M+Na-2H]- 301.94342 155.8
[M]+ 280.96820 153.1
[M]- 280.96930 153.1
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.