CID 376828

Nsc657946

Structural Information

Molecular Formula
C19H23O5P
SMILES
CCCCOCOC1=CC=CC=C1P2(=O)COC3=CC=CC=C3OC2
InChI
InChI=1S/C19H23O5P/c1-2-3-12-21-13-22-18-10-6-7-11-19(18)25(20)14-23-16-8-4-5-9-17(16)24-15-25/h4-11H,2-3,12-15H2,1H3
InChIKey
JZHUSDHKYQXIRX-UHFFFAOYSA-N
Compound name
3-[2-(butoxymethoxy)phenyl]-2,4-dihydro-1,5,3lambda5-benzodioxaphosphepine 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1283 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13558 184.9
[M+Na]+ 385.11752 189.4
[M-H]- 361.12102 192.7
[M+NH4]+ 380.16212 197.0
[M+K]+ 401.09146 192.9
[M+H-H2O]+ 345.12556 175.5
[M+HCOO]- 407.12650 207.7
[M+CH3COO]- 421.14215 213.8
[M+Na-2H]- 383.10297 187.9
[M]+ 362.12775 187.5
[M]- 362.12885 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.