CID 3034377

Einecs 264-088-4

Structural Information

Molecular Formula
C15H17O4P
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=CC=C2OP(=O)(O)O
InChI
InChI=1S/C15H17O4P/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)19-20(16,17)18/h3-11H,1-2H3,(H2,16,17,18)
InChIKey
IPMOLHAIDJEBQN-UHFFFAOYSA-N
Compound name
[2-(2-phenylpropan-2-yl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

292.08646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09374 168.9
[M+Na]+ 315.07568 175.1
[M-H]- 291.07918 171.9
[M+NH4]+ 310.12028 183.2
[M+K]+ 331.04962 172.1
[M+H-H2O]+ 275.08372 160.0
[M+HCOO]- 337.08466 192.7
[M+CH3COO]- 351.10031 196.4
[M+Na-2H]- 313.06113 172.8
[M]+ 292.08591 170.0
[M]- 292.08701 170.0
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