CID 263097

Pentadecanoyl chloride

Structural Information

Molecular Formula
C15H29ClO
SMILES
CCCCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C15H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3
InChIKey
PQZWQGNQOVDTRF-UHFFFAOYSA-N
Compound name
pentadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

260.1907 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19798 167.9
[M+Na]+ 283.17992 172.3
[M-H]- 259.18342 166.5
[M+NH4]+ 278.22452 185.7
[M+K]+ 299.15386 167.7
[M+H-H2O]+ 243.18796 162.7
[M+HCOO]- 305.18890 183.6
[M+CH3COO]- 319.20455 200.1
[M+Na-2H]- 281.16537 168.4
[M]+ 260.19015 174.5
[M]- 260.19125 174.5
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