CID 66072979

2-(2-chlorophenyl)-2-methoxyacetonitrile

Structural Information

Molecular Formula
C9H8ClNO
SMILES
COC(C#N)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H8ClNO/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9H,1H3
InChIKey
XCZZVTNTIRSPFT-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-methoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 136.2
[M+Na]+ 204.018648 147.4
[M-H]- 180.022154 139.7
[M+NH4]+ 199.063253 155.2
[M+K]+ 219.992588 143.1
[M+H-H2O]+ 164.026690 125.2
[M+HCOO]- 226.027631 152.4
[M+CH3COO]- 240.043281 192.7
[M+Na-2H]- 202.004096 141.7
[M]+ 181.02888142 134.0
[M]- 181.02997858 134.0
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.