CID 130714606

1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene

Structural Information

Molecular Formula
C9H10BrFO2
SMILES
CC1=C(C(=C(C=C1)Br)OCOC)F
InChI
InChI=1S/C9H10BrFO2/c1-6-3-4-7(10)9(8(6)11)13-5-12-2/h3-4H,5H2,1-2H3
InChIKey
FYACAXLHSLOIFS-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98482 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99210 142.9
[M+Na]+ 270.97404 156.0
[M-H]- 246.97754 148.6
[M+NH4]+ 266.01864 164.5
[M+K]+ 286.94798 145.6
[M+H-H2O]+ 230.98208 142.3
[M+HCOO]- 292.98302 164.2
[M+CH3COO]- 306.99867 191.5
[M+Na-2H]- 268.95949 149.3
[M]+ 247.98427 164.0
[M]- 247.98537 164.0
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.