CID 5355510

2-butenal, 2-chloro-

Structural Information

Molecular Formula
C4H5ClO
SMILES
C/C=C(/C=O)\Cl
InChI
InChI=1S/C4H5ClO/c1-2-4(5)3-6/h2-3H,1H3/b4-2-
InChIKey
GMUIHGWBQIUCST-RQOWECAXSA-N
Compound name
(Z)-2-chlorobut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

104.00289 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01017 115.1
[M+Na]+ 126.99211 124.4
[M-H]- 102.99561 115.8
[M+NH4]+ 122.03671 139.2
[M+K]+ 142.96605 122.3
[M+H-H2O]+ 87.000150 112.4
[M+HCOO]- 149.00109 134.7
[M+CH3COO]- 163.01674 165.4
[M+Na-2H]- 124.97756 121.8
[M]+ 104.00234 116.7
[M]- 104.00344 116.7
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