CID 688342

1-bromo-4-(dimethoxymethyl)benzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COC(C1=CC=C(C=C1)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey
TWFNGPDYMFEHOB-UHFFFAOYSA-N
Compound name
1-bromo-4-(dimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

455
Patents

229.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.001526 141.1
[M+Na]+ 252.983468 152.2
[M-H]- 228.986974 147.5
[M+NH4]+ 248.028073 162.9
[M+K]+ 268.957408 142.7
[M+H-H2O]+ 212.991510 141.3
[M+HCOO]- 274.992451 162.6
[M+CH3COO]- 289.008101 187.6
[M+Na-2H]- 250.968916 148.3
[M]+ 229.99370142 162.0
[M]- 229.99479858 162.0
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