CID 688340

1-bromo-4-(diethoxymethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
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

literature stripe

Patent stripe

patents stripe