CID 123252

Ethyl 2-chlorobutanoate

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CCC(C(=O)OCC)Cl
InChI
InChI=1S/C6H11ClO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
InChIKey
QTEITWPJVHAOTN-UHFFFAOYSA-N
Compound name
ethyl 2-chlorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

150.04475 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05203 128.7
[M+Na]+ 173.03397 136.7
[M-H]- 149.03747 129.2
[M+NH4]+ 168.07857 151.0
[M+K]+ 189.00791 135.6
[M+H-H2O]+ 133.04201 125.5
[M+HCOO]- 195.04295 146.9
[M+CH3COO]- 209.05860 175.2
[M+Na-2H]- 171.01942 133.1
[M]+ 150.04420 132.7
[M]- 150.04530 132.7
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