CID 13093564

2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C8H5Cl2NO
SMILES
C1=CC(=C(C(=C1)Cl)C(C#N)O)Cl
InChI
InChI=1S/C8H5Cl2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7,12H
InChIKey
PQZULIDMYBWYFO-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

200.97482 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.982096 138.4
[M+Na]+ 223.964038 150.8
[M-H]- 199.967544 140.6
[M+NH4]+ 219.008643 156.7
[M+K]+ 239.937978 144.7
[M+H-H2O]+ 183.972080 129.0
[M+HCOO]- 245.973021 149.1
[M+CH3COO]- 259.988671 192.9
[M+Na-2H]- 221.949486 142.6
[M]+ 200.97427142 135.6
[M]- 200.97536858 135.6
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

patents stripe