CID 22466

Hexyl chloroformate

Structural Information

Molecular Formula
C7H13ClO2
SMILES
CCCCCCOC(=O)Cl
InChI
InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
InChIKey
KIWBRXCOTCXSSZ-UHFFFAOYSA-N
Compound name
hexyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

1699
Patents

164.06041 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06769 133.6
[M+Na]+ 187.04963 141.4
[M-H]- 163.05313 133.7
[M+NH4]+ 182.09423 155.3
[M+K]+ 203.02357 139.5
[M+H-H2O]+ 147.05767 130.0
[M+HCOO]- 209.05861 152.3
[M+CH3COO]- 223.07426 177.3
[M+Na-2H]- 185.03508 138.6
[M]+ 164.05986 138.5
[M]- 164.06096 138.5
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