CID 5271412

89210-94-6

Structural Information

Molecular Formula
C16H26BrO4P
SMILES
CCOP(=O)(CCCCCCOC1=CC=C(C=C1)Br)OCC
InChI
InChI=1S/C16H26BrO4P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12H,3-8,13-14H2,1-2H3
InChIKey
KSJHLCBWEJCIDQ-UHFFFAOYSA-N
Compound name
1-bromo-4-(6-diethoxyphosphorylhexoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.0752 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08248 196.6
[M+Na]+ 415.06442 204.8
[M-H]- 391.06792 200.4
[M+NH4]+ 410.10902 212.4
[M+K]+ 431.03836 193.7
[M+H-H2O]+ 375.07246 192.6
[M+HCOO]- 437.07340 220.0
[M+CH3COO]- 451.08905 216.3
[M+Na-2H]- 413.04987 197.6
[M]+ 392.07465 222.9
[M]- 392.07575 222.9
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

No patent data available for this compound.