CID 92302

35787-74-7

Structural Information

Molecular Formula
C14H15O4P
SMILES
CC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C
InChI
InChI=1S/C14H15O4P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,15,16)
InChIKey
OHRCKPRYDGSBRN-UHFFFAOYSA-N
Compound name
bis(2-methylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

278.0708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07808 162.7
[M+Na]+ 301.06002 170.4
[M-H]- 277.06352 167.4
[M+NH4]+ 296.10462 178.5
[M+K]+ 317.03396 167.9
[M+H-H2O]+ 261.06806 153.3
[M+HCOO]- 323.06900 190.0
[M+CH3COO]- 337.08465 196.6
[M+Na-2H]- 299.04547 165.8
[M]+ 278.07025 166.3
[M]- 278.07135 166.3
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