CID 44631071

886509-99-5

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=CC(=C(C=C1C(F)F)Br)F
InChI
InChI=1S/C7H4BrF3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7H
InChIKey
SKVRXULNDBZCFL-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethyl)-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

223.94485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 145.8
[M+Na]+ 246.93407 148.2
[M+NH4]+ 241.97867 149.5
[M+K]+ 262.90801 147.3
[M-H]- 222.93757 143.2
[M+Na-2H]- 244.91952 147.8
[M]+ 223.94430 144.2
[M]- 223.94540 144.2
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

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