CID 16227040

1-methyl-5-(trichloroacetyl)-1h-pyrrole-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl4NO3S
SMILES
CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl4NO3S/c1-12-3-4(16(11,14)15)2-5(12)6(13)7(8,9)10/h2-3H,1H3
InChIKey
RHFRYNZCFXKAIO-UHFFFAOYSA-N
Compound name
1-methyl-5-(2,2,2-trichloroacetyl)pyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

322.87442 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.88170 173.8
[M+Na]+ 345.86364 184.5
[M+NH4]+ 340.90824 179.7
[M+K]+ 361.83758 178.8
[M-H]- 321.86714 171.2
[M+Na-2H]- 343.84909 175.7
[M]+ 322.87387 175.8
[M]- 322.87497 175.8
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