CID 61186

Valeryl chloride

Structural Information

Molecular Formula
C5H9ClO
SMILES
CCCCC(=O)Cl
InChI
InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChIKey
XGISHOFUAFNYQF-UHFFFAOYSA-N
Compound name
pentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

10088
Patents

120.034195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 121.1
[M+Na]+ 143.02341 129.6
[M-H]- 119.02692 121.6
[M+NH4]+ 138.06802 144.6
[M+K]+ 158.99735 127.9
[M+H-H2O]+ 103.03146 118.1
[M+HCOO]- 165.03240 140.2
[M+CH3COO]- 179.04805 170.1
[M+Na-2H]- 141.00886 127.3
[M]+ 120.03365 123.9
[M]- 120.03474 123.9
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