CID 6003397

67023-84-1

Structural Information

Molecular Formula
C15H25Cl
SMILES
CC(=CCC/C(=C/CC/C(=C/CCl)/C)/C)C
InChI
InChI=1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey
BJVUJIDTICYHLL-YFVJMOTDSA-N
Compound name
(2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

240.16447 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17175 162.1
[M+Na]+ 263.15369 167.0
[M-H]- 239.15719 161.3
[M+NH4]+ 258.19829 180.9
[M+K]+ 279.12763 161.7
[M+H-H2O]+ 223.16173 157.8
[M+HCOO]- 285.16267 176.3
[M+CH3COO]- 299.17832 196.0
[M+Na-2H]- 261.13914 160.4
[M]+ 240.16392 164.5
[M]- 240.16502 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe