CID 64867922

2-bromo-5-(2-bromoethyl)thiophene

Structural Information

Molecular Formula
C6H6Br2S
SMILES
C1=C(SC(=C1)Br)CCBr
InChI
InChI=1S/C6H6Br2S/c7-4-3-5-1-2-6(8)9-5/h1-2H,3-4H2
InChIKey
RWYRZOFTXMJDNT-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-bromoethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

267.8557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.86298 126.7
[M+Na]+ 290.84492 140.2
[M-H]- 266.84842 134.6
[M+NH4]+ 285.88952 149.5
[M+K]+ 306.81886 124.6
[M+H-H2O]+ 250.85296 136.0
[M+HCOO]- 312.85390 141.3
[M+CH3COO]- 326.86955 197.2
[M+Na-2H]- 288.83037 132.8
[M]+ 267.85515 162.5
[M]- 267.85625 162.5
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