CID 93560

Chlorodifluoroacetaldehyde

Structural Information

Molecular Formula
C2HClF2O
SMILES
C(=O)C(F)(F)Cl
InChI
InChI=1S/C2HClF2O/c3-2(4,5)1-6/h1H
InChIKey
PRGCVNDIGVIGBQ-UHFFFAOYSA-N
Compound name
2-chloro-2,2-difluoroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

930
Patents

113.9684 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.975676 110.9
[M+Na]+ 136.957618 121.3
[M-H]- 112.961124 109.3
[M+NH4]+ 132.002223 134.5
[M+K]+ 152.931558 119.4
[M+H-H2O]+ 96.965660 106.9
[M+HCOO]- 158.966601 128.3
[M+CH3COO]- 172.982251 165.9
[M+Na-2H]- 134.943066 119.4
[M]+ 113.96785142 110.2
[M]- 113.96894858 110.2
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