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 161.4
[M+Na]+ 239.02342 167.2
[M-H]- 215.02692 164.9
[M+NH4]+ 234.06802 165.7
[M+K]+ 254.99736 163.9
[M+H-H2O]+ 199.03146 154.5
[M+HCOO]- 261.03240 160.9
[M+CH3COO]- 275.04805 242.6
[M+Na-2H]- 237.00887 158.8
[M]+ 216.03365 156.6
[M]- 216.03475 156.6
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

patents stripe