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]+ 245.01717 146.1
[M+Na]+ 266.99911 157.5
[M-H]- 243.00261 152.6
[M+NH4]+ 262.04371 167.6
[M+K]+ 282.97305 147.7
[M+H-H2O]+ 227.00715 146.6
[M+HCOO]- 289.00809 166.7
[M+CH3COO]- 303.02374 190.0
[M+Na-2H]- 264.98456 154.5
[M]+ 244.00934 167.6
[M]- 244.01044 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