CID 61802634

1-bromo-3-(trimethoxymethyl)benzene

Structural Information

Molecular Formula
C10H13BrO3
SMILES
COC(C1=CC(=CC=C1)Br)(OC)OC
InChI
InChI=1S/C10H13BrO3/c1-12-10(13-2,14-3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
InChIKey
UYWXQPIOLRROOW-UHFFFAOYSA-N
Compound name
1-bromo-3-(trimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00482 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01210 148.9
[M+Na]+ 282.99404 160.1
[M-H]- 258.99754 155.3
[M+NH4]+ 278.03864 169.6
[M+K]+ 298.96798 150.8
[M+H-H2O]+ 243.00208 149.0
[M+HCOO]- 305.00302 169.6
[M+CH3COO]- 319.01867 191.8
[M+Na-2H]- 280.97949 157.3
[M]+ 260.00427 171.6
[M]- 260.00537 171.6
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

No patent data available for this compound.