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

31
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 117.7
[M+Na]+ 288.82928 131.1
[M-H]- 264.83278 125.7
[M+NH4]+ 283.87388 139.2
[M+K]+ 304.80322 115.3
[M+H-H2O]+ 248.83732 127.1
[M+HCOO]- 310.83826 131.5
[M+CH3COO]- 324.85391 197.8
[M+Na-2H]- 286.81473 125.6
[M]+ 265.83951 153.3
[M]- 265.84061 153.3
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