CID 19594935

1-bromo-2-methoxy-4-propoxybenzene

Structural Information

Molecular Formula
C10H13BrO2
SMILES
CCCOC1=CC(=C(C=C1)Br)OC
InChI
InChI=1S/C10H13BrO2/c1-3-6-13-8-4-5-9(11)10(7-8)12-2/h4-5,7H,3,6H2,1-2H3
InChIKey
DJVGJPKDBDIQQL-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxy-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

244.00989 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01717 144.4
[M+Na]+ 266.99911 156.2
[M-H]- 243.00261 150.9
[M+NH4]+ 262.04371 166.0
[M+K]+ 282.97305 146.1
[M+H-H2O]+ 227.00715 144.4
[M+HCOO]- 289.00809 166.5
[M+CH3COO]- 303.02374 190.7
[M+Na-2H]- 264.98456 151.6
[M]+ 244.00934 166.6
[M]- 244.01044 166.6
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