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

422
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

literature stripe

Patent stripe

patents stripe