CID 6434576

Trans-1-chloro-1-hexen-3-one

Structural Information

Molecular Formula
C6H9ClO
SMILES
CCCC(=O)/C=C/Cl
InChI
InChI=1S/C6H9ClO/c1-2-3-6(8)4-5-7/h4-5H,2-3H2,1H3/b5-4+
InChIKey
VDVLYXSQGCISGT-SNAWJCMRSA-N
Compound name
(E)-1-chlorohex-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

132.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 124.7
[M+Na]+ 155.02342 136.4
[M+NH4]+ 150.06802 133.2
[M+K]+ 170.99736 129.8
[M-H]- 131.02692 124.3
[M+Na-2H]- 153.00887 129.1
[M]+ 132.03365 126.4
[M]- 132.03475 126.4
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

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