CID 11832311

1-chloro-4-(4-pentylcyclohexyl)benzene

Structural Information

Molecular Formula
C17H25Cl
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H25Cl/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3
InChIKey
GITNUDHCNOVRFM-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

264.1645 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17178 164.6
[M+Na]+ 287.15372 169.6
[M-H]- 263.15722 169.7
[M+NH4]+ 282.19832 182.1
[M+K]+ 303.12766 163.6
[M+H-H2O]+ 247.16176 157.8
[M+HCOO]- 309.16270 179.0
[M+CH3COO]- 323.17835 198.1
[M+Na-2H]- 285.13917 166.0
[M]+ 264.16395 163.3
[M]- 264.16505 163.3
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