CID 68526

(2-bromoethoxy)benzene

Structural Information

Molecular Formula
C8H9BrO
SMILES
C1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JJFOBACUIRKUPN-UHFFFAOYSA-N
Compound name
2-bromoethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2426
Patents

199.98367 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 133.6
[M+Na]+ 222.97289 137.7
[M+NH4]+ 218.01749 139.5
[M+K]+ 238.94683 136.6
[M-H]- 198.97639 134.9
[M+Na-2H]- 220.95834 138.7
[M]+ 199.98312 133.4
[M]- 199.98422 133.4
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