CID 119017175

2-bromo-1-chloro-3-(difluoromethoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

255.91022 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.91750 139.6
[M+Na]+ 278.89944 153.6
[M-H]- 254.90294 144.0
[M+NH4]+ 273.94404 161.5
[M+K]+ 294.87338 141.1
[M+H-H2O]+ 238.90748 139.5
[M+HCOO]- 300.90842 155.2
[M+CH3COO]- 314.92407 189.8
[M+Na-2H]- 276.88489 145.8
[M]+ 255.90967 158.6
[M]- 255.91077 158.6
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