CID 2756841

2-(4-bromobenzoyl)-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C16H10BrNO3
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)C3=CC=C(C=C3)Br)C(=O)O
InChI
InChI=1S/C16H10BrNO3/c17-10-7-5-9(6-8-10)15(19)14-13(16(20)21)11-3-1-2-4-12(11)18-14/h1-8,18H,(H,20,21)
InChIKey
UFKJOCIYQJRAPU-UHFFFAOYSA-N
Compound name
2-(4-bromobenzoyl)-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.9844 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.99168 170.4
[M+Na]+ 365.97362 182.2
[M-H]- 341.97712 177.6
[M+NH4]+ 361.01822 187.5
[M+K]+ 381.94756 169.5
[M+H-H2O]+ 325.98166 169.8
[M+HCOO]- 387.98260 188.3
[M+CH3COO]- 401.99825 183.5
[M+Na-2H]- 363.95907 174.2
[M]+ 342.98385 189.3
[M]- 342.98495 189.3
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.