CID 66980

2-bromododecanoic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

3
References

464
Patents

278.08813 Da
Monoisotopic Mass

5.7
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

No patent data available for this compound.