CID 12253177

1-(chloromethyl)-4-octylbenzene

Structural Information

Molecular Formula
C15H23Cl
SMILES
CCCCCCCCC1=CC=C(C=C1)CCl
InChI
InChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-8,13H2,1H3
InChIKey
ZVHWQQPJHLSYKL-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-octylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

238.14883 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15611 157.4
[M+Na]+ 261.13805 164.0
[M-H]- 237.14155 159.9
[M+NH4]+ 256.18265 176.3
[M+K]+ 277.11199 158.6
[M+H-H2O]+ 221.14609 151.7
[M+HCOO]- 283.14703 175.4
[M+CH3COO]- 297.16268 194.6
[M+Na-2H]- 259.12350 161.2
[M]+ 238.14828 161.8
[M]- 238.14938 161.8
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