CID 11126972

2,2-dichloro-2-phenylacetonitrile

Structural Information

Molecular Formula
C8H5Cl2N
SMILES
C1=CC=C(C=C1)C(C#N)(Cl)Cl
InChI
InChI=1S/C8H5Cl2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H
InChIKey
HDTAUMIOSWQZRW-UHFFFAOYSA-N
Compound name
2,2-dichloro-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

184.9799 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.98718 135.1
[M+Na]+ 207.96912 149.0
[M+NH4]+ 203.01372 141.5
[M+K]+ 223.94306 138.6
[M-H]- 183.97262 130.4
[M+Na-2H]- 205.95457 141.1
[M]+ 184.97935 135.7
[M]- 184.98045 135.7
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