CID 86003502

77342-17-7

Structural Information

Molecular Formula
C21H21O4P
SMILES
CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI
InChI=1S/C21H21O4P/c1-16-9-8-12-19(15-16)23-26(22,24-20-13-6-4-10-17(20)2)25-21-14-7-5-11-18(21)3/h4-15H,1-3H3
InChIKey
VVKLDZBAUZBOTJ-UHFFFAOYSA-N
Compound name
bis(2-methylphenyl) (3-methylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11774 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12502 188.8
[M+Na]+ 391.10696 195.6
[M-H]- 367.11046 197.4
[M+NH4]+ 386.15156 201.0
[M+K]+ 407.08090 192.3
[M+H-H2O]+ 351.11500 176.6
[M+HCOO]- 413.11594 216.1
[M+CH3COO]- 427.13159 217.2
[M+Na-2H]- 389.09241 189.9
[M]+ 368.11719 193.7
[M]- 368.11829 193.7
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

No patent data available for this compound.