CID 18426821

4-bromo-1-(dimethoxymethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C9H10BrFO2
SMILES
COC(C1=C(C=C(C=C1)Br)F)OC
InChI
InChI=1S/C9H10BrFO2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChIKey
LUBJMTAUCIBGNJ-UHFFFAOYSA-N
Compound name
4-bromo-1-(dimethoxymethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

247.98482 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.992096 144.2
[M+Na]+ 270.974038 156.2
[M-H]- 246.977544 149.6
[M+NH4]+ 266.018643 165.5
[M+K]+ 286.947978 146.2
[M+H-H2O]+ 230.982080 143.6
[M+HCOO]- 292.983021 164.6
[M+CH3COO]- 306.998671 191.2
[M+Na-2H]- 268.959486 150.1
[M]+ 247.98427142 164.4
[M]- 247.98536858 164.4
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