CID 560790

2-chloroacrolein

Structural Information

Molecular Formula
C3H3ClO
SMILES
C=C(C=O)Cl
InChI
InChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2
InChIKey
ZWHANXMMZRUTAY-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

207
Patents

89.98724 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.994516 111.2
[M+Na]+ 112.97646 123.4
[M+NH4]+ 108.02106 120.1
[M+K]+ 128.95040 117.6
[M-H]- 88.979964 110.8
[M+Na-2H]- 110.96191 116.3
[M]+ 89.986691 112.9
[M]- 89.987789 112.9
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