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
8
Annotation Hits

407
References

59555
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]+ 100.976458 116.8
[M-H]- 76.979964 107.7
[M+NH4]+ 96.021063 131.9
[M+K]+ 116.950398 115.4
[M+H-H2O]+ 60.984500 104.3
[M+HCOO]- 122.985441 127.8
[M+CH3COO]- 137.001091 160.2
[M+Na-2H]- 98.961906 115.9
[M]+ 77.98669142 109.0
[M]- 77.98778858 109.0
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