CID 116486704

Methyl 6-bromo-4-chloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H7BrClNO2
SMILES
COC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Br
InChI
InChI=1S/C10H7BrClNO2/c1-15-10(14)9-4-6-7(12)2-5(11)3-8(6)13-9/h2-4,13H,1H3
InChIKey
RSAYXTXXAVDLCD-UHFFFAOYSA-N
Compound name
methyl 6-bromo-4-chloro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.93488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.94216 151.1
[M+Na]+ 309.92410 166.6
[M-H]- 285.92760 156.9
[M+NH4]+ 304.96870 173.0
[M+K]+ 325.89804 153.3
[M+H-H2O]+ 269.93214 152.2
[M+HCOO]- 331.93308 167.4
[M+CH3COO]- 345.94873 192.0
[M+Na-2H]- 307.90955 157.2
[M]+ 286.93433 173.9
[M]- 286.93543 173.9
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