CID 2168548

3-chloro-5-methoxy-4-propoxybenzonitrile

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CCCOC1=C(C=C(C=C1Cl)C#N)OC
InChI
InChI=1S/C11H12ClNO2/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-6H,3-4H2,1-2H3
InChIKey
RRKSJUONQCFLEL-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-propoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 142.6
[M+Na]+ 248.04487 156.1
[M+NH4]+ 243.08947 147.7
[M+K]+ 264.01881 146.1
[M-H]- 224.04837 137.6
[M+Na-2H]- 246.03032 146.9
[M]+ 225.05510 142.6
[M]- 225.05620 142.6
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.