CID 135440

2-chloropropanal

Structural Information

Molecular Formula
C3H5ClO
SMILES
CC(C=O)Cl
InChI
InChI=1S/C3H5ClO/c1-3(4)2-5/h2-3H,1H3
InChIKey
UAARVZGODBESIF-UHFFFAOYSA-N
Compound name
2-chloropropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1685
Patents

92.00289 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 111.6
[M+Na]+ 114.99211 120.9
[M-H]- 90.995614 112.4
[M+NH4]+ 110.03671 136.1
[M+K]+ 130.96605 119.7
[M+H-H2O]+ 75.000150 109.0
[M+HCOO]- 137.00109 131.3
[M+CH3COO]- 151.01674 164.0
[M+Na-2H]- 112.97756 118.8
[M]+ 92.002341 113.6
[M]- 92.003439 113.6
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.