CID 18671792

100463-96-5

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

19
Patents

162.96329 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97057 117.6
[M+Na]+ 185.95251 130.9
[M-H]- 161.95601 120.2
[M+NH4]+ 180.99711 139.6
[M+K]+ 201.92645 121.8
[M+H-H2O]+ 145.96055 111.9
[M+HCOO]- 207.96149 138.8
[M+CH3COO]- 221.97714 188.1
[M+Na-2H]- 183.93796 127.0
[M]+ 162.96274 131.3
[M]- 162.96384 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