CID 18671792

2-(2-bromoethoxy)acetonitrile

Structural Information

Molecular Formula
C4H6BrNO
SMILES
C(CBr)OCC#N
InChI
InChI=1S/C4H6BrNO/c5-1-3-7-4-2-6/h1,3-4H2
InChIKey
YIYKKFOTSGVUTL-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.96329 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.970566 117.6
[M+Na]+ 185.952508 130.9
[M-H]- 161.956014 120.2
[M+NH4]+ 180.997113 139.6
[M+K]+ 201.926448 121.8
[M+H-H2O]+ 145.960550 111.9
[M+HCOO]- 207.961491 138.8
[M+CH3COO]- 221.977141 188.1
[M+Na-2H]- 183.937956 127.0
[M]+ 162.96274142 131.3
[M]- 162.96383858 131.3
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