CID 43135584

4-(2-chloroethoxy)-3-methoxybenzonitrile

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
COC1=C(C=CC(=C1)C#N)OCCCl
InChI
InChI=1S/C10H10ClNO2/c1-13-10-6-8(7-12)2-3-9(10)14-5-4-11/h2-3,6H,4-5H2,1H3
InChIKey
IGNCKOFXAYAKES-UHFFFAOYSA-N
Compound name
4-(2-chloroethoxy)-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 140.7
[M+Na]+ 234.02923 152.5
[M-H]- 210.03273 144.4
[M+NH4]+ 229.07383 159.0
[M+K]+ 250.00317 148.3
[M+H-H2O]+ 194.03727 129.5
[M+HCOO]- 256.03821 157.8
[M+CH3COO]- 270.05386 197.4
[M+Na-2H]- 232.01468 146.5
[M]+ 211.03946 141.1
[M]- 211.04056 141.1
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.