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

62
Patents

244.00989 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01717 145.8
[M+Na]+ 266.99911 156.5
[M-H]- 243.00261 152.0
[M+NH4]+ 262.04371 167.0
[M+K]+ 282.97305 146.8
[M+H-H2O]+ 227.00715 145.8
[M+HCOO]- 289.00809 166.9
[M+CH3COO]- 303.02374 190.4
[M+Na-2H]- 264.98456 152.5
[M]+ 244.00934 167.1
[M]- 244.01044 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