CID 85791

Ethyl 2-bromotetradecanoate

Structural Information

Molecular Formula
C16H31BrO2
SMILES
CCCCCCCCCCCCC(C(=O)OCC)Br
InChI
InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3
InChIKey
JQQZIRFEGUUJBP-UHFFFAOYSA-N
Compound name
ethyl 2-bromotetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

334.15073 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15801 181.3
[M+Na]+ 357.13995 187.8
[M-H]- 333.14345 182.5
[M+NH4]+ 352.18455 198.9
[M+K]+ 373.11389 176.3
[M+H-H2O]+ 317.14799 180.0
[M+HCOO]- 379.14893 198.0
[M+CH3COO]- 393.16458 209.8
[M+Na-2H]- 355.12540 181.5
[M]+ 334.15018 205.0
[M]- 334.15128 205.0
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