CID 621035

1-bromo-4-[chloro(difluoro)methoxy]benzene

Structural Information

Molecular Formula
C7H4BrClF2O
SMILES
C1=CC(=CC=C1OC(F)(F)Cl)Br
InChI
InChI=1S/C7H4BrClF2O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey
QBFJZAGJDZAVQT-UHFFFAOYSA-N
Compound name
1-bromo-4-[chloro(difluoro)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

255.91022 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.91750 141.3
[M+Na]+ 278.89944 155.1
[M-H]- 254.90294 145.6
[M+NH4]+ 273.94404 163.1
[M+K]+ 294.87338 142.5
[M+H-H2O]+ 238.90748 141.4
[M+HCOO]- 300.90842 156.4
[M+CH3COO]- 314.92407 188.3
[M+Na-2H]- 276.88489 149.7
[M]+ 255.90967 160.0
[M]- 255.91077 160.0
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

patents stripe