CID 12626348

3,4-dibromo-2,5-dimethylthiophene

Structural Information

Molecular Formula
C6H6Br2S
SMILES
CC1=C(C(=C(S1)C)Br)Br
InChI
InChI=1S/C6H6Br2S/c1-3-5(7)6(8)4(2)9-3/h1-2H3
InChIKey
NWYUIYYDNDZXBK-UHFFFAOYSA-N
Compound name
3,4-dibromo-2,5-dimethylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

267.8557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.86298 125.1
[M+Na]+ 290.84492 139.7
[M-H]- 266.84842 133.4
[M+NH4]+ 285.88952 148.3
[M+K]+ 306.81886 124.0
[M+H-H2O]+ 250.85296 134.5
[M+HCOO]- 312.85390 139.5
[M+CH3COO]- 326.86955 198.8
[M+Na-2H]- 288.83037 130.2
[M]+ 267.85515 161.3
[M]- 267.85625 161.3
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