CID 20034451

1-(1-bromoethyl)-4-methoxybenzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC(C1=CC=C(C=C1)OC)Br
InChI
InChI=1S/C9H11BrO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3
InChIKey
KZYDZNLNJFSFKL-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

213.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.2
[M+Na]+ 236.98855 149.4
[M-H]- 212.99205 144.7
[M+NH4]+ 232.03315 160.7
[M+K]+ 252.96249 139.5
[M+H-H2O]+ 196.99659 138.7
[M+HCOO]- 258.99753 159.5
[M+CH3COO]- 273.01318 185.7
[M+Na-2H]- 234.97400 145.5
[M]+ 213.99878 157.8
[M]- 213.99988 157.8
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