CID 45158711

1-bromo-2-(difluoromethoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C7H4BrF3O
SMILES
C1=CC(=C(C=C1F)OC(F)F)Br
InChI
InChI=1S/C7H4BrF3O/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3,7H
InChIKey
BZXMUSAMMGLTMI-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

239.93976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94704 140.0
[M+Na]+ 262.92898 152.9
[M-H]- 238.93248 143.0
[M+NH4]+ 257.97358 161.3
[M+K]+ 278.90292 142.0
[M+H-H2O]+ 222.93702 138.0
[M+HCOO]- 284.93796 158.7
[M+CH3COO]- 298.95361 188.9
[M+Na-2H]- 260.91443 145.5
[M]+ 239.93921 155.7
[M]- 239.94031 155.7
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