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]+ 219.057116 165.8
[M+Na]+ 241.039058 174.3
[M-H]- 217.042564 168.2
[M+NH4]+ 236.083663 173.8
[M+K]+ 257.012998 169.1
[M+H-H2O]+ 201.047100 155.1
[M+HCOO]- 263.048041 166.9
[M+CH3COO]- 277.063691 228.4
[M+Na-2H]- 239.024506 163.7
[M]+ 218.04929142 158.5
[M]- 218.05038858 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.