CID 67340

Hexanoyl chloride

Structural Information

Molecular Formula
C6H11ClO
SMILES
CCCCCC(=O)Cl
InChI
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChIKey
YWGHUJQYGPDNKT-UHFFFAOYSA-N
Compound name
hexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

8760
Patents

134.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.2
[M+Na]+ 157.03906 136.9
[M+NH4]+ 152.08366 134.0
[M+K]+ 173.01300 130.4
[M-H]- 133.04256 125.0
[M+Na-2H]- 155.02451 129.7
[M]+ 134.04929 127.0
[M]- 134.05039 127.0
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