CID 13846151

9,9-dibromo-8-nonenoic acid

Structural Information

Molecular Formula
C9H14Br2O2
SMILES
C(CCCC(=O)O)CCC=C(Br)Br
InChI
InChI=1S/C9H14Br2O2/c10-8(11)6-4-2-1-3-5-7-9(12)13/h6H,1-5,7H2,(H,12,13)
InChIKey
VKDBKWUDZFGRDB-UHFFFAOYSA-N
Compound name
9,9-dibromonon-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.93604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.94332 150.6
[M+Na]+ 334.92526 159.3
[M-H]- 310.92876 153.0
[M+NH4]+ 329.96986 168.5
[M+K]+ 350.89920 142.7
[M+H-H2O]+ 294.93330 157.8
[M+HCOO]- 356.93424 163.5
[M+CH3COO]- 370.94989 204.0
[M+Na-2H]- 332.91071 154.3
[M]+ 311.93549 184.3
[M]- 311.93659 184.3
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.