CID 33

Chloroacetaldehyde

Structural Information

Molecular Formula
C2H3ClO
SMILES
C(C=O)Cl
InChI
InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
InChIKey
QSKPIOLLBIHNAC-UHFFFAOYSA-N
Compound name
2-chloroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

407
References

34414
Patents

77.98724 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.994516 106.8
[M+Na]+ 100.97646 119.5
[M+NH4]+ 96.021063 116.3
[M+K]+ 116.95040 113.2
[M-H]- 76.979964 106.9
[M+Na-2H]- 98.961906 112.7
[M]+ 77.986691 108.8
[M]- 77.987789 108.8
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