CID 71669335

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

Structural Information

Molecular Formula
C7H4BrF3O
SMILES
C1=CC(=C(C=C1OC(F)F)Br)F
InChI
InChI=1S/C7H4BrF3O/c8-5-3-4(12-7(10)11)1-2-6(5)9/h1-3,7H
InChIKey
CIBTWXKNTCYDMS-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethoxy)-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

239.93976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.947036 140.0
[M+Na]+ 262.928978 152.9
[M-H]- 238.932484 143.0
[M+NH4]+ 257.973583 161.3
[M+K]+ 278.902918 142.0
[M+H-H2O]+ 222.937020 138.0
[M+HCOO]- 284.937961 158.7
[M+CH3COO]- 298.953611 188.9
[M+Na-2H]- 260.914426 145.5
[M]+ 239.93921142 155.7
[M]- 239.94030858 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