CID 20841399

71701-09-2

Structural Information

Molecular Formula
C12H21Cl
SMILES
CC/C=C\C=C/CCCCCCCl
InChI
InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6H,2,7-12H2,1H3/b4-3-,6-5-
InChIKey
XEXGEIAGKDOJQX-OUPQRBNQSA-N
Compound name
(3Z,5Z)-12-chlorododeca-3,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13318 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14046 149.5
[M+Na]+ 223.12240 155.9
[M-H]- 199.12590 148.7
[M+NH4]+ 218.16700 170.0
[M+K]+ 239.09634 150.7
[M+H-H2O]+ 183.13044 145.3
[M+HCOO]- 245.13138 167.3
[M+CH3COO]- 259.14703 186.3
[M+Na-2H]- 221.10785 153.1
[M]+ 200.13263 153.3
[M]- 200.13373 153.3
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

No patent data available for this compound.