CID 43802955

2-(2-bromophenyl)-2-(morpholin-4-yl)acetonitrile

Structural Information

Molecular Formula
C12H13BrN2O
SMILES
C1COCCN1C(C#N)C2=CC=CC=C2Br
InChI
InChI=1S/C12H13BrN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2
InChIKey
JDBWNHVPBRFVGZ-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.02112 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02840 151.3
[M+Na]+ 303.01034 161.9
[M-H]- 279.01384 156.1
[M+NH4]+ 298.05494 166.0
[M+K]+ 318.98428 150.7
[M+H-H2O]+ 263.01838 143.0
[M+HCOO]- 325.01932 166.1
[M+CH3COO]- 339.03497 162.7
[M+Na-2H]- 300.99579 157.0
[M]+ 280.02057 160.1
[M]- 280.02167 160.1
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.