CID 90869

2-chlorohexadecane

Structural Information

Molecular Formula
C16H33Cl
SMILES
CCCCCCCCCCCCCCC(C)Cl
InChI
InChI=1S/C16H33Cl/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16H,3-15H2,1-2H3
InChIKey
OFWCQAKDOFOJNQ-UHFFFAOYSA-N
Compound name
2-chlorohexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

260.22708 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.23436 171.0
[M+Na]+ 283.21630 174.7
[M-H]- 259.21980 169.4
[M+NH4]+ 278.26090 189.0
[M+K]+ 299.19024 170.0
[M+H-H2O]+ 243.22434 165.7
[M+HCOO]- 305.22528 186.0
[M+CH3COO]- 319.24093 202.1
[M+Na-2H]- 281.20175 171.0
[M]+ 260.22653 177.2
[M]- 260.22763 177.2
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