CID 65126354

3-[(3-chlorophenyl)methoxy]propanenitrile

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1=CC(=CC(=C1)Cl)COCCC#N
InChI
InChI=1S/C10H10ClNO/c11-10-4-1-3-9(7-10)8-13-6-2-5-12/h1,3-4,7H,2,6,8H2
InChIKey
FDRSNAOLTKQLSR-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)methoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.052366 139.2
[M+Na]+ 218.034308 150.2
[M-H]- 194.037814 142.4
[M+NH4]+ 213.078913 157.8
[M+K]+ 234.008248 145.3
[M+H-H2O]+ 178.042350 127.9
[M+HCOO]- 240.043291 156.0
[M+CH3COO]- 254.058941 194.7
[M+Na-2H]- 216.019756 145.4
[M]+ 195.04454142 137.9
[M]- 195.04563858 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

patents stripe