CID 101416667

3-tridecene-5,7,9,11-tetrayn-1-ol, 2-chloro-, (e)-

Structural Information

Molecular Formula
C13H9ClO
SMILES
CC#CC#CC#CC#C/C=C/C(CO)Cl
InChI
InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h10-11,13,15H,12H2,1H3/b11-10+
InChIKey
XENVCRGQTABGKY-ZHACJKMWSA-N
Compound name
(E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15329
Patents

216.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04148 197.3
[M+Na]+ 239.02342 199.4
[M+NH4]+ 234.06802 195.7
[M+K]+ 254.99736 193.6
[M-H]- 215.02692 191.0
[M+Na-2H]- 237.00887 193.4
[M]+ 216.03365 195.2
[M]- 216.03475 195.2
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