CID 25680

1,2,4-tribromo-3,5,6-trichlorobenzene

Structural Information

Molecular Formula
C6Br3Cl3
SMILES
C1(=C(C(=C(C(=C1Br)Cl)Br)Br)Cl)Cl
InChI
InChI=1S/C6Br3Cl3/c7-1-2(8)5(11)6(12)3(9)4(1)10
InChIKey
XAIKFWSNTFEXDC-UHFFFAOYSA-N
Compound name
1,2,4-tribromo-3,5,6-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

413.66156 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.66884 145.4
[M+Na]+ 436.65078 157.6
[M-H]- 412.65428 150.8
[M+NH4]+ 431.69538 160.5
[M+K]+ 452.62472 139.6
[M+H-H2O]+ 396.65882 161.0
[M+HCOO]- 458.65976 147.8
[M+CH3COO]- 472.67541 224.6
[M+Na-2H]- 434.63623 149.5
[M]+ 413.66101 185.8
[M]- 413.66211 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe