CID 145913718

2377034-17-6

Structural Information

Molecular Formula
C7H3BrClNO2S2
SMILES
C1=C(SC2=C(C=NC=C21)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H3BrClNO2S2/c8-5-3-10-2-4-1-6(13-7(4)5)14(9,11)12/h1-3H
InChIKey
MOLOLMUTQPPUKB-UHFFFAOYSA-N
Compound name
7-bromothieno[3,2-c]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.84772 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.85500 139.2
[M+Na]+ 333.83694 157.4
[M-H]- 309.84044 147.2
[M+NH4]+ 328.88154 162.0
[M+K]+ 349.81088 143.6
[M+H-H2O]+ 293.84498 142.4
[M+HCOO]- 355.84592 148.2
[M+CH3COO]- 369.86157 155.9
[M+Na-2H]- 331.82239 146.5
[M]+ 310.84717 164.9
[M]- 310.84827 164.9
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.