CID 88521

5-chloropentyl acetate

Structural Information

Molecular Formula
C7H13ClO2
SMILES
CC(=O)OCCCCCCl
InChI
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChIKey
ZCYVIAZIVJNAMO-UHFFFAOYSA-N
Compound name
5-chloropentyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

164.06041 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe