CID 167730944

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-iodobenzene

Structural Information

Molecular Formula
C7H2BrF4I
SMILES
C(C1=C(C(=C(C(=C1F)F)I)F)F)Br
InChI
InChI=1S/C7H2BrF4I/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey
AMEAZNZBEYUSMJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.83206 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.83934 146.6
[M+Na]+ 390.82128 155.1
[M-H]- 366.82478 142.7
[M+NH4]+ 385.86588 163.2
[M+K]+ 406.79522 148.7
[M+H-H2O]+ 350.82932 140.8
[M+HCOO]- 412.83026 160.3
[M+CH3COO]- 426.84591 202.3
[M+Na-2H]- 388.80673 139.6
[M]+ 367.83151 158.3
[M]- 367.83261 158.3
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

No patent data available for this compound.