CID 3057411

Dibutylphosphinic acid m-tolyl ester

Structural Information

Molecular Formula
C15H25O2P
SMILES
CCCCP(=O)(CCCC)OC1=CC=CC(=C1)C
InChI
InChI=1S/C15H25O2P/c1-4-6-11-18(16,12-7-5-2)17-15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3
InChIKey
JVLSPVLQVCWVPD-UHFFFAOYSA-N
Compound name
1-dibutylphosphoryloxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.1592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16648 169.1
[M+Na]+ 291.14842 175.1
[M-H]- 267.15192 170.9
[M+NH4]+ 286.19302 186.5
[M+K]+ 307.12236 172.4
[M+H-H2O]+ 251.15646 160.4
[M+HCOO]- 313.15740 195.8
[M+CH3COO]- 327.17305 201.2
[M+Na-2H]- 289.13387 170.1
[M]+ 268.15865 174.8
[M]- 268.15975 174.8
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

patents stripe