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]+ 302.823976 131.3
[M+Na]+ 324.805918 146.9
[M-H]- 300.809424 139.7
[M+NH4]+ 319.850523 154.2
[M+K]+ 340.779858 129.4
[M+H-H2O]+ 284.813960 141.3
[M+HCOO]- 346.814901 142.0
[M+CH3COO]- 360.830551 201.7
[M+Na-2H]- 322.791366 136.1
[M]+ 301.81615142 168.7
[M]- 301.81724858 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.