CID 2723761

1-bromo-4-(1-ethoxyethoxy)benzene

Structural Information

Molecular Formula
C10H13BrO2
SMILES
CCOC(C)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKey
LCLUUJLBNFCPNM-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-ethoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

244.00989 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.017166 145.8
[M+Na]+ 266.999108 156.5
[M-H]- 243.002614 152.0
[M+NH4]+ 262.043713 167.0
[M+K]+ 282.973048 146.8
[M+H-H2O]+ 227.007150 145.8
[M+HCOO]- 289.008091 166.9
[M+CH3COO]- 303.023741 190.4
[M+Na-2H]- 264.984556 152.5
[M]+ 244.00934142 167.1
[M]- 244.01043858 167.1
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