CID 18453

2,5-dibromothiophene

Structural Information

Molecular Formula
C4H2Br2S
SMILES
C1=C(SC(=C1)Br)Br
InChI
InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
KBVDUUXRXJTAJC-UHFFFAOYSA-N
Compound name
2,5-dibromothiophene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

2722
Patents

239.8244 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.83168 118.6
[M+Na]+ 262.81362 132.8
[M-H]- 238.81712 126.8
[M+NH4]+ 257.85822 142.3
[M+K]+ 278.78756 117.6
[M+H-H2O]+ 222.82166 128.3
[M+HCOO]- 284.82260 133.7
[M+CH3COO]- 298.83825 192.6
[M+Na-2H]- 260.79907 125.6
[M]+ 239.82385 153.9
[M]- 239.82495 153.9
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