CID 32765

Leptophos oxon

Structural Information

Molecular Formula
C13H10BrCl2O3P
SMILES
COP(=O)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl
InChI
InChI=1S/C13H10BrCl2O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
InChIKey
MAKUYRKZFGSMMG-UHFFFAOYSA-N
Compound name
1-bromo-2,5-dichloro-4-[methoxy(phenyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

20
Patents

393.8928 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.90008 178.1
[M+Na]+ 416.88202 192.3
[M-H]- 392.88552 186.5
[M+NH4]+ 411.92662 195.8
[M+K]+ 432.85596 178.6
[M+H-H2O]+ 376.89006 176.6
[M+HCOO]- 438.89100 194.7
[M+CH3COO]- 452.90665 211.5
[M+Na-2H]- 414.86747 181.3
[M]+ 393.89225 203.5
[M]- 393.89335 203.5
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