CID 6441661

Oleyl chloroformate

Structural Information

Molecular Formula
C19H35ClO2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)Cl
InChI
InChI=1S/C19H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKey
WWHPFZLMAISGAI-KTKRTIGZSA-N
Compound name
[(Z)-octadec-9-enyl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

330.23254 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23982 187.7
[M+Na]+ 353.22176 190.9
[M-H]- 329.22526 185.7
[M+NH4]+ 348.26636 202.8
[M+K]+ 369.19570 185.2
[M+H-H2O]+ 313.22980 181.7
[M+HCOO]- 375.23074 202.7
[M+CH3COO]- 389.24639 211.6
[M+Na-2H]- 351.20721 186.2
[M]+ 330.23199 196.5
[M]- 330.23309 196.5
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