CID 3085707

72121-76-7

Structural Information

Molecular Formula
C18H22ClO3P
SMILES
CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)Cl
InChI
InChI=1S/C18H22ClO3P/c1-13(2)15-5-9-17(10-6-15)21-23(19,20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3
InChIKey
KYNLYVFUBUCGTG-UHFFFAOYSA-N
Compound name
1-[chloro-(4-propan-2-ylphenoxy)phosphoryl]oxy-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

352.09952 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10680 181.4
[M+Na]+ 375.08874 188.4
[M-H]- 351.09224 187.0
[M+NH4]+ 370.13334 195.9
[M+K]+ 391.06268 184.4
[M+H-H2O]+ 335.09678 172.3
[M+HCOO]- 397.09772 202.3
[M+CH3COO]- 411.11337 214.2
[M+Na-2H]- 373.07419 180.3
[M]+ 352.09897 188.1
[M]- 352.10007 188.1
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