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

11
Patents

280.96875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 151.7
[M+Na]+ 303.95797 165.8
[M-H]- 279.96147 157.4
[M+NH4]+ 299.00257 172.7
[M+K]+ 319.93191 154.1
[M+H-H2O]+ 263.96601 151.9
[M+HCOO]- 325.96695 172.4
[M+CH3COO]- 339.98260 192.5
[M+Na-2H]- 301.94342 157.6
[M]+ 280.96820 173.6
[M]- 280.96930 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