CID 124111525

4-bromo-1-(1,1-difluoroethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C8H6BrF3
SMILES
CC(C1=C(C=C(C=C1)Br)F)(F)F
InChI
InChI=1S/C8H6BrF3/c1-8(11,12)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
SLOSFLNCZNVKSN-UHFFFAOYSA-N
Compound name
4-bromo-1-(1,1-difluoroethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

237.9605 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 151.7
[M+Na]+ 260.94972 154.0
[M+NH4]+ 255.99432 155.2
[M+K]+ 276.92366 153.1
[M-H]- 236.95322 148.8
[M+Na-2H]- 258.93517 153.6
[M]+ 237.95995 150.0
[M]- 237.96105 150.0
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