CID 16627

2-chloroethyl acrylate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C=CC(=O)OCCCl
InChI
InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKey
WHBAYNMEIXUTJV-UHFFFAOYSA-N
Compound name
2-chloroethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14704
Patents

134.01346 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 123.0
[M+Na]+ 157.00268 134.4
[M+NH4]+ 152.04728 131.1
[M+K]+ 172.97662 128.6
[M-H]- 133.00618 122.0
[M+Na-2H]- 154.98813 127.2
[M]+ 134.01291 124.4
[M]- 134.01401 124.4
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

patents stripe