CID 643841

Ethyl (2z)-3-chloroprop-2-enoate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
CCOC(=O)/C=C\Cl
InChI
InChI=1S/C5H7ClO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKey
OKMYNYPNNCRXCE-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

134.01346 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.8
[M+Na]+ 157.00268 131.8
[M-H]- 133.00618 123.4
[M+NH4]+ 152.04728 145.8
[M+K]+ 172.97662 129.9
[M+H-H2O]+ 117.01072 119.8
[M+HCOO]- 179.01166 142.5
[M+CH3COO]- 193.02731 169.7
[M+Na-2H]- 154.98813 129.0
[M]+ 134.01291 126.3
[M]- 134.01401 126.3
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