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

42
Patents

244.00989 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.017166 144.4
[M+Na]+ 266.999108 156.2
[M-H]- 243.002614 150.9
[M+NH4]+ 262.043713 166.0
[M+K]+ 282.973048 146.1
[M+H-H2O]+ 227.007150 144.4
[M+HCOO]- 289.008091 166.5
[M+CH3COO]- 303.023741 190.7
[M+Na-2H]- 264.984556 151.6
[M]+ 244.00934142 166.6
[M]- 244.01043858 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