CID 45790644

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.1
[M+Na]+ 260.94972 155.5
[M-H]- 236.95322 145.4
[M+NH4]+ 255.99432 163.9
[M+K]+ 276.92366 143.9
[M+H-H2O]+ 220.95776 140.8
[M+HCOO]- 282.95870 159.9
[M+CH3COO]- 296.97435 189.4
[M+Na-2H]- 258.93517 148.9
[M]+ 237.95995 157.0
[M]- 237.96105 157.0
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

No patent data available for this compound.