CID 59146082

4-bromo-2-fluoro-6-iodoaniline

Structural Information

Molecular Formula
C6H4BrFIN
SMILES
C1=C(C=C(C(=C1F)N)I)Br
InChI
InChI=1S/C6H4BrFIN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
BEVNAVSJFOFMKX-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-6-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

314.8556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.86288 143.6
[M+Na]+ 337.84482 149.7
[M-H]- 313.84832 142.2
[M+NH4]+ 332.88942 161.1
[M+K]+ 353.81876 144.0
[M+H-H2O]+ 297.85286 139.2
[M+HCOO]- 359.85380 160.5
[M+CH3COO]- 373.86945 193.7
[M+Na-2H]- 335.83027 138.5
[M]+ 314.85505 155.8
[M]- 314.85615 155.8
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