CID 2733543

1-bromo-3-(diethoxymethyl)benzene

Structural Information

Molecular Formula
C11H15BrO2
SMILES
CCOC(C1=CC(=CC=C1)Br)OCC
InChI
InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3
InChIKey
KDHRJLQXMOBXRV-UHFFFAOYSA-N
Compound name
1-bromo-3-(diethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

258.02554 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03282 150.6
[M+Na]+ 281.01476 160.8
[M-H]- 257.01826 156.6
[M+NH4]+ 276.05936 171.2
[M+K]+ 296.98870 150.8
[M+H-H2O]+ 241.02280 150.3
[M+HCOO]- 303.02374 171.3
[M+CH3COO]- 317.03939 193.2
[M+Na-2H]- 279.00021 156.6
[M]+ 258.02499 172.1
[M]- 258.02609 172.1
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