CID 10219603

Iodoacetaldehyde

Structural Information

Molecular Formula
C2H3IO
SMILES
C(C=O)I
InChI
InChI=1S/C2H3IO/c3-1-2-4/h2H,1H2
InChIKey
XQCWOAMYQRDOQY-UHFFFAOYSA-N
Compound name
2-iodoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

10172
Patents

169.92287 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.93015 115.9
[M+Na]+ 192.91209 117.8
[M-H]- 168.91559 110.1
[M+NH4]+ 187.95669 135.6
[M+K]+ 208.88603 124.0
[M+H-H2O]+ 152.92013 108.7
[M+HCOO]- 214.92107 136.0
[M+CH3COO]- 228.93672 168.9
[M+Na-2H]- 190.89754 112.4
[M]+ 169.92232 114.1
[M]- 169.92342 114.1
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