CID 14835913

2-(2-chloroethoxy)acetonitrile

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C(CCl)OCC#N
InChI
InChI=1S/C4H6ClNO/c5-1-3-7-4-2-6/h1,3-4H2
InChIKey
GQFCLJZQECVTDO-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

119.013794 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 116.9
[M+Na]+ 142.00301 127.7
[M-H]- 118.00652 118.1
[M+NH4]+ 137.04762 138.3
[M+K]+ 157.97695 125.9
[M+H-H2O]+ 102.01105 107.3
[M+HCOO]- 164.01200 134.2
[M+CH3COO]- 178.02764 182.0
[M+Na-2H]- 139.98846 124.8
[M]+ 119.01325 115.6
[M]- 119.01434 115.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe