CID 93058

2,3-dichloropropanal

Structural Information

Molecular Formula
C3H4Cl2O
SMILES
C(C(C=O)Cl)Cl
InChI
InChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2
InChIKey
IZRKUJREXIKAQM-UHFFFAOYSA-N
Compound name
2,3-dichloropropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

511
Patents

125.96392 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.97120 117.3
[M+Na]+ 148.95314 126.9
[M-H]- 124.95664 117.4
[M+NH4]+ 143.99774 140.7
[M+K]+ 164.92708 123.9
[M+H-H2O]+ 108.96118 115.4
[M+HCOO]- 170.96212 131.9
[M+CH3COO]- 184.97777 169.1
[M+Na-2H]- 146.93859 123.8
[M]+ 125.96337 120.0
[M]- 125.96447 120.0
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