CID 97633

Cetyl chloroformate

Structural Information

Molecular Formula
C17H33ClO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)Cl
InChI
InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3
InChIKey
HOQUWXSARQBQCW-UHFFFAOYSA-N
Compound name
hexadecyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

492
Patents

304.21692 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22420 180.0
[M+Na]+ 327.20614 183.6
[M-H]- 303.20964 178.2
[M+NH4]+ 322.25074 196.1
[M+K]+ 343.18008 179.0
[M+H-H2O]+ 287.21418 174.2
[M+HCOO]- 349.21512 195.4
[M+CH3COO]- 363.23077 207.2
[M+Na-2H]- 325.19159 179.5
[M]+ 304.21637 188.7
[M]- 304.21747 188.7
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

No patent data available for this compound.