CID 10975427

But-3-enoyl chloride

Structural Information

Molecular Formula
C4H5ClO
SMILES
C=CCC(=O)Cl
InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2H,1,3H2
InChIKey
OKOSPWNNXVDXKZ-UHFFFAOYSA-N
Compound name
but-3-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

639
Patents

104.00289 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01017 115.6
[M+Na]+ 126.99211 127.7
[M+NH4]+ 122.03671 124.4
[M+K]+ 142.96605 121.6
[M-H]- 102.99561 115.2
[M+Na-2H]- 124.97756 120.5
[M]+ 104.00234 117.4
[M]- 104.00344 117.4
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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