CID 165995477

2,4-dibromo-5-(chloromethyl)-3-methylthiophene

Structural Information

Molecular Formula
C6H5Br2ClS
SMILES
CC1=C(SC(=C1Br)CCl)Br
InChI
InChI=1S/C6H5Br2ClS/c1-3-5(7)4(2-9)10-6(3)8/h2H2,1H3
InChIKey
YHOIYOWZGNNOIT-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-(chloromethyl)-3-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.8167 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.82398 131.3
[M+Na]+ 324.80592 146.9
[M-H]- 300.80942 139.7
[M+NH4]+ 319.85052 154.2
[M+K]+ 340.77986 129.4
[M+H-H2O]+ 284.81396 141.3
[M+HCOO]- 346.81490 142.0
[M+CH3COO]- 360.83055 201.7
[M+Na-2H]- 322.79137 136.1
[M]+ 301.81615 168.7
[M]- 301.81725 168.7
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

No patent data available for this compound.