CID 13528

Methacryloyl chloride

Structural Information

Molecular Formula
C4H5ClO
SMILES
CC(=C)C(=O)Cl
InChI
InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
InChIKey
VHRYZQNGTZXDNX-UHFFFAOYSA-N
Compound name
2-methylprop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

45793
Patents

104.00289 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01017 114.6
[M+Na]+ 126.99211 123.6
[M-H]- 102.99561 115.4
[M+NH4]+ 122.03671 138.6
[M+K]+ 142.96605 121.9
[M+H-H2O]+ 87.000150 112.0
[M+HCOO]- 149.00109 133.3
[M+CH3COO]- 163.01674 166.9
[M+Na-2H]- 124.97756 120.1
[M]+ 104.00234 115.7
[M]- 104.00344 115.7
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