CID 20497040

4-nonyne, 9-bromo-

Structural Information

Molecular Formula
C9H15Br
SMILES
CCCC#CCCCCBr
InChI
InChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h2-3,6-9H2,1H3
InChIKey
SSKGDSYBCKBTBR-UHFFFAOYSA-N
Compound name
9-bromonon-4-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

202.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 133.5
[M+Na]+ 225.024918 146.0
[M-H]- 201.028424 134.7
[M+NH4]+ 220.069523 154.3
[M+K]+ 240.998858 134.6
[M+H-H2O]+ 185.032960 128.4
[M+HCOO]- 247.033901 151.3
[M+CH3COO]- 261.049551 191.9
[M+Na-2H]- 223.010366 140.1
[M]+ 202.03515142 146.7
[M]- 202.03624858 146.7
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