CID 65409

38404-93-2

Structural Information

Molecular Formula

C₈H₆BrClNO₄P

SMILES

C1=CC(=C(C2=C1NC=C2OP(=O)(O)O)Cl)Br

InChI

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

InChIKey

QRXMUCSWCMTJGU-UHFFFAOYSA-N

Compound name

(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 444
References: 42803
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	162.1
[M+Na]+	347.87984	164.5
[M+NH4]+	342.92444	164.8
[M+K]+	363.85378	167.5
[M-H]-	323.88334	159.2
[M+Na-2H]-	345.86529	162.1
[M]+	324.89007	160.4
[M]-	324.89117	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe