CID 14821433

133950-77-3

Structural Information

Molecular Formula
C17H21BrClNO2
SMILES
CCCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
InChI
InChI=1S/C17H21BrClNO2/c1-2-3-4-5-6-7-8-15(21)22-14-11-20-13-10-9-12(18)17(19)16(13)14/h9-11,20H,2-8H2,1H3
InChIKey
WLSCZNTXZOTUFQ-UHFFFAOYSA-N
Compound name
(5-bromo-4-chloro-1H-indol-3-yl) nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

385.04443 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05171 185.8
[M+Na]+ 408.03365 189.1
[M+NH4]+ 403.07825 189.3
[M+K]+ 424.00759 188.2
[M-H]- 384.03715 185.0
[M+Na-2H]- 406.01910 186.0
[M]+ 385.04388 185.0
[M]- 385.04498 185.0
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