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]+ 203.04298 133.0
[M+Na]+ 225.02492 145.3
[M-H]- 201.02842 134.0
[M+NH4]+ 220.06952 153.6
[M+K]+ 240.99886 133.9
[M+H-H2O]+ 185.03296 127.8
[M+HCOO]- 247.03390 150.7
[M+CH3COO]- 261.04955 193.0
[M+Na-2H]- 223.01037 139.6
[M]+ 202.03515 146.3
[M]- 202.03625 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