CID 77565

Tetrabromothiophene

Structural Information

Molecular Formula
C4Br4S
SMILES
C1(=C(SC(=C1Br)Br)Br)Br
InChI
InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
InChIKey
AVPWUAFYDNQGNZ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

479
Patents

395.64542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.65270 135.2
[M+Na]+ 418.63464 144.1
[M-H]- 394.63814 140.4
[M+NH4]+ 413.67924 147.8
[M+K]+ 434.60858 130.7
[M+H-H2O]+ 378.64268 154.1
[M+HCOO]- 440.64362 141.0
[M+CH3COO]- 454.65927 232.3
[M+Na-2H]- 416.62009 138.7
[M]+ 395.64487 174.5
[M]- 395.64597 174.5
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