CID 18927458

9-bromonon-1-yne

Structural Information

Molecular Formula
C9H15Br
SMILES
C#CCCCCCCCBr
InChI
InChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h1H,3-9H2
InChIKey
WRNGSESDZJXHDW-UHFFFAOYSA-N
Compound name
9-bromonon-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.0357 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 133.0
[M+Na]+ 225.024918 145.3
[M-H]- 201.028424 134.0
[M+NH4]+ 220.069523 153.6
[M+K]+ 240.998858 133.9
[M+H-H2O]+ 185.032960 127.8
[M+HCOO]- 247.033901 150.7
[M+CH3COO]- 261.049551 193.0
[M+Na-2H]- 223.010366 139.6
[M]+ 202.03515142 146.3
[M]- 202.03624858 146.3
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

patents stripe