CID 82145

2-bromohexadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

231
References

943
Patents

334.15073 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15801 181.8
[M+Na]+ 357.13995 187.8
[M-H]- 333.14345 181.6
[M+NH4]+ 352.18455 198.6
[M+K]+ 373.11389 175.3
[M+H-H2O]+ 317.14799 180.6
[M+HCOO]- 379.14893 197.1
[M+CH3COO]- 393.16458 207.9
[M+Na-2H]- 355.12540 181.5
[M]+ 334.15018 203.7
[M]- 334.15128 203.7
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

patents stripe