CID 3825390

1-bromo-3-(1,1-dimethoxyethyl)benzene

Structural Information

Molecular Formula
C10H13BrO2
SMILES
CC(C1=CC(=CC=C1)Br)(OC)OC
InChI
InChI=1S/C10H13BrO2/c1-10(12-2,13-3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
InChIKey
SWMARCBUWYKQGH-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1-dimethoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.00989 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.017166 146.1
[M+Na]+ 266.999108 157.5
[M-H]- 243.002614 152.6
[M+NH4]+ 262.043713 167.6
[M+K]+ 282.973048 147.7
[M+H-H2O]+ 227.007150 146.6
[M+HCOO]- 289.008091 166.7
[M+CH3COO]- 303.023741 190.0
[M+Na-2H]- 264.984556 154.5
[M]+ 244.00934142 167.6
[M]- 244.01043858 167.6
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

patents stripe