CID 43498451

2-(4-bromophenyl)-1,4-oxazepane

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CNCC(OC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-10-4-2-9(3-5-10)11-8-13-6-1-7-14-11/h2-5,11,13H,1,6-8H2
InChIKey
LPDKMJGLOBAONI-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 146.8
[M+Na]+ 278.01510 153.5
[M-H]- 254.01860 153.9
[M+NH4]+ 273.05970 162.8
[M+K]+ 293.98904 147.6
[M+H-H2O]+ 238.02314 146.3
[M+HCOO]- 300.02408 161.8
[M+CH3COO]- 314.03973 159.2
[M+Na-2H]- 276.00055 153.5
[M]+ 255.02533 156.9
[M]- 255.02643 156.9
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.