CID 24702998

4-(3-chlorophenoxy)butanenitrile

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1=CC(=CC(=C1)Cl)OCCCC#N
InChI
InChI=1S/C10H10ClNO/c11-9-4-3-5-10(8-9)13-7-2-1-6-12/h3-5,8H,1-2,7H2
InChIKey
MQFQUIIIMDMFLN-UHFFFAOYSA-N
Compound name
4-(3-chlorophenoxy)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 138.5
[M+Na]+ 218.03431 151.9
[M+NH4]+ 213.07891 144.3
[M+K]+ 234.00825 141.2
[M-H]- 194.03781 133.9
[M+Na-2H]- 216.01976 143.7
[M]+ 195.04454 138.6
[M]- 195.04564 138.6
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.