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

19862
Patents

216.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.041476 161.4
[M+Na]+ 239.023418 167.2
[M-H]- 215.026924 164.9
[M+NH4]+ 234.068023 165.7
[M+K]+ 254.997358 163.9
[M+H-H2O]+ 199.031460 154.5
[M+HCOO]- 261.032401 160.9
[M+CH3COO]- 275.048051 242.6
[M+Na-2H]- 237.008866 158.8
[M]+ 216.03365142 156.6
[M]- 216.03474858 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