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 139.2
[M+Na]+ 218.03431 150.2
[M-H]- 194.03781 142.4
[M+NH4]+ 213.07891 157.8
[M+K]+ 234.00825 145.3
[M+H-H2O]+ 178.04235 127.9
[M+HCOO]- 240.04329 156.0
[M+CH3COO]- 254.05894 194.7
[M+Na-2H]- 216.01976 145.4
[M]+ 195.04454 137.9
[M]- 195.04564 137.9
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.