CID 18667834

Bis(2,4-dimethylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C16H19O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C16H19O4P/c1-11-5-7-15(13(3)9-11)19-21(17,18)20-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,17,18)
InChIKey
WZXFATKFKFBBKJ-UHFFFAOYSA-N
Compound name
bis(2,4-dimethylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

306.10208 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10936 171.0
[M+Na]+ 329.09130 179.5
[M-H]- 305.09480 176.1
[M+NH4]+ 324.13590 186.3
[M+K]+ 345.06524 176.9
[M+H-H2O]+ 289.09934 161.6
[M+HCOO]- 351.10028 197.5
[M+CH3COO]- 365.11593 205.1
[M+Na-2H]- 327.07675 171.7
[M]+ 306.10153 176.1
[M]- 306.10263 176.1
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