CID 8206

Palmitoyl chloride

Structural Information

Molecular Formula
C16H31ClO
SMILES
CCCCCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
InChIKey
ARBOVOVUTSQWSS-UHFFFAOYSA-N
Compound name
hexadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

9327
Patents

274.20633 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21361 172.4
[M+Na]+ 297.19555 176.4
[M-H]- 273.19905 170.9
[M+NH4]+ 292.24015 189.7
[M+K]+ 313.16949 171.6
[M+H-H2O]+ 257.20359 167.1
[M+HCOO]- 319.20453 187.9
[M+CH3COO]- 333.22018 203.0
[M+Na-2H]- 295.18100 172.5
[M]+ 274.20578 179.4
[M]- 274.20688 179.4
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