CID 3085483

1-undecyne, 1-bromo-11-chloro-

Structural Information

Molecular Formula
C11H18BrCl
SMILES
C(CCCCC#CBr)CCCCCl
InChI
InChI=1S/C11H18BrCl/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-7,9,11H2
InChIKey
YWCKJNFFWZKSNX-UHFFFAOYSA-N
Compound name
1-bromo-11-chloroundec-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.02805 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03533 146.0
[M+Na]+ 287.01727 158.8
[M-H]- 263.02077 146.7
[M+NH4]+ 282.06187 165.4
[M+K]+ 302.99121 144.7
[M+H-H2O]+ 247.02531 141.3
[M+HCOO]- 309.02625 159.3
[M+CH3COO]- 323.04190 200.6
[M+Na-2H]- 285.00272 151.4
[M]+ 264.02750 161.3
[M]- 264.02860 161.3
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.