CID 18770170

1-bromo-2-cyclopropoxybenzene

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC1OC2=CC=CC=C2Br
InChI
InChI=1S/C9H9BrO/c10-8-3-1-2-4-9(8)11-7-5-6-7/h1-4,7H,5-6H2
InChIKey
MLULTGPYHKKSRT-UHFFFAOYSA-N
Compound name
1-bromo-2-cyclopropyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

211.98367 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 129.4
[M+Na]+ 234.97289 135.5
[M+NH4]+ 230.01749 136.2
[M+K]+ 250.94683 135.9
[M-H]- 210.97639 137.7
[M+Na-2H]- 232.95834 137.7
[M]+ 211.98312 132.6
[M]- 211.98422 132.6
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