CID 88014

6-chlorohexanoyl chloride

Structural Information

Molecular Formula
C6H10Cl2O
SMILES
C(CCC(=O)Cl)CCCl
InChI
InChI=1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey
WZILXAPNPKMOSA-UHFFFAOYSA-N
Compound name
6-chlorohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

168.01086 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01814 131.4
[M+Na]+ 191.00008 139.8
[M-H]- 167.00358 131.0
[M+NH4]+ 186.04468 153.2
[M+K]+ 206.97402 136.0
[M+H-H2O]+ 151.00812 128.9
[M+HCOO]- 213.00906 145.1
[M+CH3COO]- 227.02471 178.0
[M+Na-2H]- 188.98553 136.2
[M]+ 168.01031 135.3
[M]- 168.01141 135.3
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