CID 67155418

1,3-dibromo-2-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4Br2F2O
SMILES
C1=CC(=C(C(=C1)Br)OC(F)F)Br
InChI
InChI=1S/C7H4Br2F2O/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3,7H
InChIKey
LWMNXLMNERFLAL-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

299.8597 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.86698 142.0
[M+Na]+ 322.84892 153.6
[M-H]- 298.85242 147.0
[M+NH4]+ 317.89352 161.2
[M+K]+ 338.82286 138.4
[M+H-H2O]+ 282.85696 148.9
[M+HCOO]- 344.85790 156.7
[M+CH3COO]- 358.87355 203.4
[M+Na-2H]- 320.83437 147.9
[M]+ 299.85915 174.4
[M]- 299.86025 174.4
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