CID 12708

Ethyl 2-chloroacrylate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
CCOC(=O)C(=C)Cl
InChI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InChIKey
CVUNPKSKGHPMSY-UHFFFAOYSA-N
Compound name
ethyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1541
Patents

134.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.4
[M+Na]+ 157.00268 131.1
[M-H]- 133.00618 123.1
[M+NH4]+ 152.04728 145.3
[M+K]+ 172.97662 129.6
[M+H-H2O]+ 117.01072 119.5
[M+HCOO]- 179.01166 141.1
[M+CH3COO]- 193.02731 171.2
[M+Na-2H]- 154.98813 127.4
[M]+ 134.01291 125.3
[M]- 134.01401 125.3
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