CID 543805

11-chloro-1-undecene

Structural Information

Molecular Formula
C11H21Cl
SMILES
C=CCCCCCCCCCCl
InChI
InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
InChIKey
PSEVKFKRYVAODC-UHFFFAOYSA-N
Compound name
11-chloroundec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

188.13318 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14046 146.0
[M+Na]+ 211.12240 152.2
[M-H]- 187.12590 145.2
[M+NH4]+ 206.16700 166.8
[M+K]+ 227.09634 148.0
[M+H-H2O]+ 171.13044 141.8
[M+HCOO]- 233.13138 163.8
[M+CH3COO]- 247.14703 185.6
[M+Na-2H]- 209.10785 150.1
[M]+ 188.13263 150.2
[M]- 188.13373 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe