CID 16094251

134646-03-0

Structural Information

Molecular Formula
C7H6Br2S
SMILES
CSC1=C(C=CC(=C1)Br)Br
InChI
InChI=1S/C7H6Br2S/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKey
FJWOCBXOKSWZPN-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.8557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.86298 121.8
[M+Na]+ 302.84492 134.8
[M-H]- 278.84842 129.6
[M+NH4]+ 297.88952 142.8
[M+K]+ 318.81886 118.8
[M+H-H2O]+ 262.85296 131.0
[M+HCOO]- 324.85390 135.3
[M+CH3COO]- 338.86955 200.1
[M+Na-2H]- 300.83037 129.1
[M]+ 279.85515 157.6
[M]- 279.85625 157.6
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.