CID 598187

1-bromo-4-(ethoxymethyl)benzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
CCOCC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrO/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3
InChIKey
GHMBQMRBQQURAS-UHFFFAOYSA-N
Compound name
1-bromo-4-(ethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

213.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 137.6
[M+Na]+ 236.98855 149.1
[M-H]- 212.99205 144.0
[M+NH4]+ 232.03315 160.1
[M+K]+ 252.96249 138.8
[M+H-H2O]+ 196.99659 138.0
[M+HCOO]- 258.99753 159.9
[M+CH3COO]- 273.01318 185.0
[M+Na-2H]- 234.97400 146.1
[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

No literature data available for this compound.

Patent stripe

patents stripe