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]+ 256.033156 146.8
[M+Na]+ 278.015098 153.5
[M-H]- 254.018604 153.9
[M+NH4]+ 273.059703 162.8
[M+K]+ 293.989038 147.6
[M+H-H2O]+ 238.023140 146.3
[M+HCOO]- 300.024081 161.8
[M+CH3COO]- 314.039731 159.2
[M+Na-2H]- 276.000546 153.5
[M]+ 255.02533142 156.9
[M]- 255.02642858 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.