CID 2757169

4-(4-bromophenyl)thiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C11H6BrClOS
SMILES
C1=CC(=CC=C1C2=CSC(=C2)C(=O)Cl)Br
InChI
InChI=1S/C11H6BrClOS/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H
InChIKey
LJFNUVOADZQXSY-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)thiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.90112 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.90840 149.9
[M+Na]+ 322.89034 164.6
[M-H]- 298.89384 160.4
[M+NH4]+ 317.93494 172.5
[M+K]+ 338.86428 151.1
[M+H-H2O]+ 282.89838 151.6
[M+HCOO]- 344.89932 164.0
[M+CH3COO]- 358.91497 165.9
[M+Na-2H]- 320.87579 152.9
[M]+ 299.90057 172.6
[M]- 299.90167 172.6
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

patents stripe