CID 6436706

Einecs 261-171-7

Structural Information

Molecular Formula
C15H25ClO
SMILES
CC(C)CCCC(C)C/C=C/C(=C/C(=O)Cl)/C
InChI
InChI=1S/C15H25ClO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3/b10-6+,14-11+
InChIKey
VWEIERGTXCMKKD-YMOPAIQUSA-N
Compound name
(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.1594 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16668 164.6
[M+Na]+ 279.14862 169.2
[M-H]- 255.15212 163.8
[M+NH4]+ 274.19322 182.6
[M+K]+ 295.12256 164.8
[M+H-H2O]+ 239.15666 160.3
[M+HCOO]- 301.15760 178.0
[M+CH3COO]- 315.17325 199.4
[M+Na-2H]- 277.13407 161.7
[M]+ 256.15885 167.9
[M]- 256.15995 167.9
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