CID 3067205

Benzene, 1-((2-(4-(1-chloroethenyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C25H25ClO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C(=C)Cl
InChI
InChI=1S/C25H25ClO2/c1-19(26)21-12-14-22(15-13-21)25(2,3)18-27-17-20-8-7-11-24(16-20)28-23-9-5-4-6-10-23/h4-16H,1,17-18H2,2-3H3
InChIKey
JSDSCWZIGNRSGP-UHFFFAOYSA-N
Compound name
1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.1543 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16158 196.7
[M+Na]+ 415.14352 202.7
[M-H]- 391.14702 205.5
[M+NH4]+ 410.18812 208.2
[M+K]+ 431.11746 195.6
[M+H-H2O]+ 375.15156 187.4
[M+HCOO]- 437.15250 211.9
[M+CH3COO]- 451.16815 221.0
[M+Na-2H]- 413.12897 198.8
[M]+ 392.15375 201.0
[M]- 392.15485 201.0
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