CID 4961268

4-(3-bromophenyl)morpholine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1COCCN1C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKey
RQMIVKDXRGZOBQ-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

241.01022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 145.6
[M+Na]+ 263.99944 154.9
[M-H]- 240.00294 153.4
[M+NH4]+ 259.04404 164.0
[M+K]+ 279.97338 145.6
[M+H-H2O]+ 224.00748 144.8
[M+HCOO]- 286.00842 162.8
[M+CH3COO]- 300.02407 159.6
[M+Na-2H]- 261.98489 153.7
[M]+ 241.00967 160.9
[M]- 241.01077 160.9
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