CID 44891175

1-bromo-3-chloro-5-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H2BrClFI
SMILES
C1=C(C=C(C(=C1Cl)I)Br)F
InChI
InChI=1S/C6H2BrClFI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
NZPDPJBTIWKLDN-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-5-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.80573 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.813006 137.2
[M+Na]+ 356.794948 145.5
[M-H]- 332.798454 136.5
[M+NH4]+ 351.839553 155.7
[M+K]+ 372.768888 138.6
[M+H-H2O]+ 316.802990 134.7
[M+HCOO]- 378.803931 150.2
[M+CH3COO]- 392.819581 193.5
[M+Na-2H]- 354.780396 133.6
[M]+ 333.80518142 153.1
[M]- 333.80627858 153.1
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