CID 18071398

2241129-66-6

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CC(C2=C(C=CC(=C2)Br)OC1)N
InChI
InChI=1S/C10H12BrNO/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9H,1-2,5,12H2
InChIKey
CHGCHQWOZKAONL-UHFFFAOYSA-N
Compound name
7-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 142.8
[M+Na]+ 263.99944 151.3
[M-H]- 240.00294 150.6
[M+NH4]+ 259.04404 162.0
[M+K]+ 279.97338 145.7
[M+H-H2O]+ 224.00748 143.4
[M+HCOO]- 286.00842 160.7
[M+CH3COO]- 300.02407 156.6
[M+Na-2H]- 261.98489 150.5
[M]+ 241.00967 154.9
[M]- 241.01077 154.9
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.