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 165.8
[M+Na]+ 241.03906 174.3
[M-H]- 217.04256 168.2
[M+NH4]+ 236.08366 173.8
[M+K]+ 257.01300 169.1
[M+H-H2O]+ 201.04710 155.1
[M+HCOO]- 263.04804 166.9
[M+CH3COO]- 277.06369 228.4
[M+Na-2H]- 239.02451 163.7
[M]+ 218.04929 158.5
[M]- 218.05039 158.5
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.