CID 85450

2-chloroacrylamide

Structural Information

Molecular Formula
C3H4ClNO
SMILES
C=C(C(=O)N)Cl
InChI
InChI=1S/C3H4ClNO/c1-2(4)3(5)6/h1H2,(H2,5,6)
InChIKey
YBXYCBGDIALKAK-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2610
Patents

104.99814 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.005416 116.2
[M+Na]+ 127.987358 124.7
[M-H]- 103.990864 116.6
[M+NH4]+ 123.031963 139.4
[M+K]+ 143.961298 122.8
[M+H-H2O]+ 87.995400 113.2
[M+HCOO]- 149.996341 135.6
[M+CH3COO]- 164.011991 167.8
[M+Na-2H]- 125.972806 121.1
[M]+ 104.99759142 115.1
[M]- 104.99868858 115.1
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