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]+ 182.03671 136.2
[M+Na]+ 204.01865 147.4
[M-H]- 180.02215 139.7
[M+NH4]+ 199.06325 155.2
[M+K]+ 219.99259 143.1
[M+H-H2O]+ 164.02669 125.2
[M+HCOO]- 226.02763 152.4
[M+CH3COO]- 240.04328 192.7
[M+Na-2H]- 202.00410 141.7
[M]+ 181.02888 134.0
[M]- 181.02998 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.