CID 192668

404366-59-2

Structural Information

Molecular Formula

C₈H₆BrClNO₄P

SMILES

C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O

InChI

InChI=1S/C8H6BrClNO4P/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14/h1-3,11H,(H2,12,13,14)

InChIKey

CJNPEPJBIHGEMU-UHFFFAOYSA-N

Compound name

(5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 918
Patents: 324.89062 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.89790	165.2
[M+Na]+	347.87984	179.8
[M-H]-	323.88334	167.6
[M+NH4]+	342.92444	184.4
[M+K]+	363.85378	166.3
[M+H-H2O]+	307.88788	164.5
[M+HCOO]-	369.88882	183.2
[M+CH3COO]-	383.90447	192.6
[M+Na-2H]-	345.86529	169.3
[M]+	324.89007	187.2
[M]-	324.89117	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe