CID 71463951

Methyl 4-bromo-3-formyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
COC(=O)C1=C(C2=C(N1)C=CC=C2Br)C=O
InChI
InChI=1S/C11H8BrNO3/c1-16-11(15)10-6(5-14)9-7(12)3-2-4-8(9)13-10/h2-5,13H,1H3
InChIKey
ACICOFWQWDQQNJ-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-formyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

280.96875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.976026 151.7
[M+Na]+ 303.957968 165.8
[M-H]- 279.961474 157.4
[M+NH4]+ 299.002573 172.7
[M+K]+ 319.931908 154.1
[M+H-H2O]+ 263.966010 151.9
[M+HCOO]- 325.966951 172.4
[M+CH3COO]- 339.982601 192.5
[M+Na-2H]- 301.943416 157.6
[M]+ 280.96820142 173.6
[M]- 280.96929858 173.6
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