CID 4714973

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

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
COC(=O)C1=CC2=C(N1)C=CC=C2Br
InChI
InChI=1S/C10H8BrNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
InChIKey
DTPOJMDJBBGYFK-UHFFFAOYSA-N
Compound name
methyl 4-bromo-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

252.97385 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.981126 146.5
[M+Na]+ 275.963068 160.1
[M-H]- 251.966574 152.0
[M+NH4]+ 271.007673 168.5
[M+K]+ 291.937008 148.7
[M+H-H2O]+ 235.971110 146.8
[M+HCOO]- 297.972051 167.2
[M+CH3COO]- 311.987701 187.4
[M+Na-2H]- 273.948516 153.5
[M]+ 252.97330142 167.1
[M]- 252.97439858 167.1
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

patents stripe