CID 86143664

4-chlorohexanoyl chloride

Structural Information

Molecular Formula
C6H10Cl2O
SMILES
CCC(CCC(=O)Cl)Cl
InChI
InChI=1S/C6H10Cl2O/c1-2-5(7)3-4-6(8)9/h5H,2-4H2,1H3
InChIKey
NLMAMSOFICKDPA-UHFFFAOYSA-N
Compound name
4-chlorohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.01086 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01814 131.0
[M+Na]+ 191.00008 139.3
[M-H]- 167.00358 130.8
[M+NH4]+ 186.04468 152.8
[M+K]+ 206.97402 135.8
[M+H-H2O]+ 151.00812 128.7
[M+HCOO]- 213.00906 143.8
[M+CH3COO]- 227.02471 178.8
[M+Na-2H]- 188.98553 134.7
[M]+ 168.01031 134.4
[M]- 168.01141 134.4
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