CID 5312945

11-bromododecanoic acid

Structural Information

Molecular Formula
C12H23BrO2
SMILES
CC(CCCCCCCCCC(=O)O)Br
InChI
InChI=1S/C12H23BrO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKey
YHYSFJBAAMODHY-UHFFFAOYSA-N
Compound name
11-bromododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

278.08813 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09541 163.7
[M+Na]+ 301.07735 171.3
[M-H]- 277.08085 164.3
[M+NH4]+ 296.12195 182.7
[M+K]+ 317.05129 159.8
[M+H-H2O]+ 261.08539 163.2
[M+HCOO]- 323.08633 180.2
[M+CH3COO]- 337.10198 196.8
[M+Na-2H]- 299.06280 165.5
[M]+ 278.08758 184.2
[M]- 278.08868 184.2
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