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]+ 248.992096 142.9
[M+Na]+ 270.974038 156.0
[M-H]- 246.977544 148.6
[M+NH4]+ 266.018643 164.5
[M+K]+ 286.947978 145.6
[M+H-H2O]+ 230.982080 142.3
[M+HCOO]- 292.983021 164.2
[M+CH3COO]- 306.998671 191.5
[M+Na-2H]- 268.959486 149.3
[M]+ 247.98427142 164.0
[M]- 247.98536858 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.