CID 2757074

265652-36-6

Structural Information

Molecular Formula
C6H4BrClOS
SMILES
CC1=C(SC=C1Br)C(=O)Cl
InChI
InChI=1S/C6H4BrClOS/c1-3-4(7)2-10-5(3)6(8)9/h2H,1H3
InChIKey
LQDVGTOWGBSXPJ-UHFFFAOYSA-N
Compound name
4-bromo-3-methylthiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

237.88548 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.89276 133.2
[M+Na]+ 260.87470 148.6
[M-H]- 236.87820 141.0
[M+NH4]+ 255.91930 158.4
[M+K]+ 276.84864 136.0
[M+H-H2O]+ 220.88274 135.6
[M+HCOO]- 282.88368 147.2
[M+CH3COO]- 296.89933 184.8
[M+Na-2H]- 258.86015 136.5
[M]+ 237.88493 156.0
[M]- 237.88603 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe