CID 2737007

1-bromo-4-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H5BrF2O
SMILES
C1=CC(=CC=C1OC(F)F)Br
InChI
InChI=1S/C7H5BrF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKey
ORIYZUFTROJBQJ-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

221.94917 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe