CID 66044

2-chloro-n-ethylacetamide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CCNC(=O)CCl
InChI
InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
InChIKey
JUBORNFANZZVJL-UHFFFAOYSA-N
Compound name
2-chloro-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

121.02944 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 120.8
[M+Na]+ 144.01866 131.5
[M+NH4]+ 139.06326 129.3
[M+K]+ 159.99260 125.9
[M-H]- 120.02216 120.8
[M+Na-2H]- 142.00411 125.4
[M]+ 121.02889 122.3
[M]- 121.02999 122.3
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

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