CID 4295065

1-chloro-2,5-dipentyloxybenzene

Structural Information

Molecular Formula
C16H25ClO2
SMILES
CCCCCOC1=CC(=C(C=C1)OCCCCC)Cl
InChI
InChI=1S/C16H25ClO2/c1-3-5-7-11-18-14-9-10-16(15(17)13-14)19-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
AFAQYNZHIWKNKO-UHFFFAOYSA-N
Compound name
2-chloro-1,4-dipentoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.1543 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16158 167.8
[M+Na]+ 307.14352 174.8
[M-H]- 283.14702 170.5
[M+NH4]+ 302.18812 185.1
[M+K]+ 323.11746 170.2
[M+H-H2O]+ 267.15156 161.7
[M+HCOO]- 329.15250 185.9
[M+CH3COO]- 343.16815 202.4
[M+Na-2H]- 305.12897 170.3
[M]+ 284.15375 175.9
[M]- 284.15485 175.9
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