CID 79080

Butenoyl chloride

Structural Information

Molecular Formula
C4H5ClO
SMILES
CC=CC(=O)Cl
InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3
InChIKey
RJUIDDKTATZJFE-UHFFFAOYSA-N
Compound name
but-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3516
Patents

104.00289 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01017 115.8
[M+Na]+ 126.99211 127.9
[M+NH4]+ 122.03671 124.6
[M+K]+ 142.96605 121.8
[M-H]- 102.99561 115.4
[M+Na-2H]- 124.97756 120.7
[M]+ 104.00234 117.5
[M]- 104.00344 117.5
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