CID 65409

5-bromo-4-chloro-3-indoxyl phosphate

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
3
Annotation Hits

444
References

43456
Patents

324.89062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe