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

59378
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 116.8
[M-H]- 76.979964 107.7
[M+NH4]+ 96.021063 131.9
[M+K]+ 116.95040 115.4
[M+H-H2O]+ 60.984500 104.3
[M+HCOO]- 122.98544 127.8
[M+CH3COO]- 137.00109 160.2
[M+Na-2H]- 98.961906 115.9
[M]+ 77.986691 109.0
[M]- 77.987789 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.