CID 20847750

3-bromo-2z-nonenoic acid

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CCCCCC/C(=C/C(=O)O)/Br
InChI
InChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7-
InChIKey
FSGDUVOQJQYMNR-FPLPWBNLSA-N
Compound name
(Z)-3-bromonon-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 148.2
[M+Na]+ 257.014758 157.3
[M-H]- 233.018264 149.4
[M+NH4]+ 252.059363 168.9
[M+K]+ 272.988698 146.1
[M+H-H2O]+ 217.022800 148.4
[M+HCOO]- 279.023741 165.9
[M+CH3COO]- 293.039391 187.0
[M+Na-2H]- 255.000206 151.7
[M]+ 234.02499142 167.0
[M]- 234.02608858 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.