CID 130090749

2-(3,4-dichloro-2-hydroxyphenyl)acetonitrile

Structural Information

Molecular Formula
C8H5Cl2NO
SMILES
C1=CC(=C(C(=C1CC#N)O)Cl)Cl
InChI
InChI=1S/C8H5Cl2NO/c9-6-2-1-5(3-4-11)8(12)7(6)10/h1-2,12H,3H2
InChIKey
NLKWQRRULCHRGQ-UHFFFAOYSA-N
Compound name
2-(3,4-dichloro-2-hydroxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98210 132.5
[M+Na]+ 223.96404 146.8
[M+NH4]+ 219.00864 138.4
[M+K]+ 239.93798 136.9
[M-H]- 199.96754 127.7
[M+Na-2H]- 221.94949 137.5
[M]+ 200.97427 133.0
[M]- 200.97537 133.0
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.