CID 2737004

1-bromo-2-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H5BrF2O
SMILES
C1=CC=C(C(=C1)OC(F)F)Br
InChI
InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKey
VHEICCMNYWNFQX-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

221.94917 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.956446 136.7
[M+Na]+ 244.938388 148.8
[M-H]- 220.941894 140.8
[M+NH4]+ 239.982993 158.7
[M+K]+ 260.912328 138.4
[M+H-H2O]+ 204.946430 135.6
[M+HCOO]- 266.947371 156.6
[M+CH3COO]- 280.963021 185.2
[M+Na-2H]- 242.923836 143.6
[M]+ 221.94862142 153.4
[M]- 221.94971858 153.4
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