CID 92493

Tetradecyl chloroformate

Structural Information

Molecular Formula
C15H29ClO2
SMILES
CCCCCCCCCCCCCCOC(=O)Cl
InChI
InChI=1S/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h2-14H2,1H3
InChIKey
KQHBSKZGPQPRIT-UHFFFAOYSA-N
Compound name
tetradecyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

276.1856 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19288 170.8
[M+Na]+ 299.17482 175.3
[M-H]- 275.17832 169.5
[M+NH4]+ 294.21942 188.1
[M+K]+ 315.14876 171.2
[M+H-H2O]+ 259.18286 165.5
[M+HCOO]- 321.18380 186.9
[M+CH3COO]- 335.19945 201.2
[M+Na-2H]- 297.16027 171.4
[M]+ 276.18505 178.9
[M]- 276.18615 178.9
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