CID 21410279

Phosphoric acid phenyl ester-tolyl ester

Structural Information

Molecular Formula
C13H13O4P
SMILES
CC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)17-18(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15)
InChIKey
QHPDEJVLBMODDN-UHFFFAOYSA-N
Compound name
(2-methylphenyl) phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

264.05515 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06243 158.5
[M+Na]+ 287.04437 165.6
[M-H]- 263.04787 162.9
[M+NH4]+ 282.08897 174.5
[M+K]+ 303.01831 163.3
[M+H-H2O]+ 247.05241 149.0
[M+HCOO]- 309.05335 186.1
[M+CH3COO]- 323.06900 192.4
[M+Na-2H]- 285.02982 162.6
[M]+ 264.05460 161.2
[M]- 264.05570 161.2
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

patents stripe