CID 14581755

3,4-dibromobenzenethiol

Structural Information

Molecular Formula
C6H4Br2S
SMILES
C1=CC(=C(C=C1S)Br)Br
InChI
InChI=1S/C6H4Br2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
YCDUVMUODNTCRB-UHFFFAOYSA-N
Compound name
3,4-dibromobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

265.84006 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.84734 123.9
[M+Na]+ 288.82928 120.3
[M+NH4]+ 283.87388 127.4
[M+K]+ 304.80322 126.0
[M-H]- 264.83278 125.7
[M+Na-2H]- 286.81473 127.6
[M]+ 265.83951 123.2
[M]- 265.84061 123.2
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