CID 66632403

3-(bromodifluoromethyl)fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

223.94485 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 138.1
[M+Na]+ 246.93407 151.0
[M-H]- 222.93757 141.2
[M+NH4]+ 241.97867 160.1
[M+K]+ 262.90801 139.6
[M+H-H2O]+ 206.94211 136.8
[M+HCOO]- 268.94305 156.2
[M+CH3COO]- 282.95870 185.6
[M+Na-2H]- 244.91952 146.0
[M]+ 223.94430 152.3
[M]- 223.94540 152.3
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