CID 11131956

2-bromohexadecanoyl chloride

Structural Information

Molecular Formula
C16H30BrClO
SMILES
CCCCCCCCCCCCCCC(C(=O)Cl)Br
InChI
InChI=1S/C16H30BrClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3
InChIKey
UEILPVLZADSHBO-UHFFFAOYSA-N
Compound name
2-bromohexadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

352.11685 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12413 182.8
[M+Na]+ 375.10607 190.5
[M-H]- 351.10957 184.1
[M+NH4]+ 370.15067 200.7
[M+K]+ 391.08001 176.2
[M+H-H2O]+ 335.11411 182.6
[M+HCOO]- 397.11505 195.1
[M+CH3COO]- 411.13070 212.1
[M+Na-2H]- 373.09152 182.8
[M]+ 352.11630 207.0
[M]- 352.11740 207.0
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