CID 131751511

(e,e)-1-chloro-3,11-tridecadiene-5,7,9-triyn-2-ol

Structural Information

Molecular Formula
C13H11ClO
SMILES
C/C=C\C#CC#CC#C/C=C/C(CCl)O
InChI
InChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+
InChIKey
BWFFGWCCMCLGBQ-JSQGHLFOSA-N
Compound name
(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05712 189.0
[M+Na]+ 241.03906 193.6
[M+NH4]+ 236.08366 187.2
[M+K]+ 257.01300 184.7
[M-H]- 217.04256 178.3
[M+Na-2H]- 239.02451 184.4
[M]+ 218.04929 185.6
[M]- 218.05039 185.6
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.