CID 7009496

6-bromo-1h-indole-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
FVMZWWFKRMBNSZ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

266.9895 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 151.2
[M+Na]+ 289.97872 164.4
[M-H]- 265.98222 156.6
[M+NH4]+ 285.02332 172.6
[M+K]+ 305.95266 152.8
[M+H-H2O]+ 249.98676 151.3
[M+HCOO]- 311.98770 171.6
[M+CH3COO]- 326.00335 190.2
[M+Na-2H]- 287.96417 157.7
[M]+ 266.98895 172.1
[M]- 266.99005 172.1
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