CID 108705

Benzene, chlorododecylphenoxy-

Structural Information

Molecular Formula
C24H33ClO
SMILES
CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC=C2)Cl
InChI
InChI=1S/C24H33ClO/c1-2-3-4-5-6-7-8-9-10-12-16-21-17-15-20-23(24(21)25)26-22-18-13-11-14-19-22/h11,13-15,17-20H,2-10,12,16H2,1H3
InChIKey
FZDVMWHQXOWPPG-UHFFFAOYSA-N
Compound name
2-chloro-1-dodecyl-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.222 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22928 195.5
[M+Na]+ 395.21122 200.4
[M-H]- 371.21472 200.3
[M+NH4]+ 390.25582 208.6
[M+K]+ 411.18516 192.7
[M+H-H2O]+ 355.21926 186.8
[M+HCOO]- 417.22020 212.0
[M+CH3COO]- 431.23585 219.7
[M+Na-2H]- 393.19667 196.0
[M]+ 372.22145 202.4
[M]- 372.22255 202.4
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