CID 3015403

Bromoethoxybenzene

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC(OC1=CC=CC=C1)Br
InChI
InChI=1S/C8H9BrO/c1-7(9)10-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
WFPDYYHUULCORF-UHFFFAOYSA-N
Compound name
1-bromoethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

199.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 134.4
[M+Na]+ 222.972888 145.2
[M-H]- 198.976394 140.7
[M+NH4]+ 218.017493 157.1
[M+K]+ 238.946828 135.4
[M+H-H2O]+ 182.980930 134.9
[M+HCOO]- 244.981871 156.0
[M+CH3COO]- 258.997521 181.9
[M+Na-2H]- 220.958336 142.8
[M]+ 199.98312142 153.3
[M]- 199.98421858 153.3
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

patents stripe