CID 42948514

5-carbamoyl-1-methyl-1h-pyrrole-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O3S
SMILES
CN1C=C(C=C1C(=O)N)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O3S/c1-9-3-4(13(7,11)12)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKey
AXBOCAUMNPHCFS-UHFFFAOYSA-N
Compound name
5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.98659 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99387 143.1
[M+Na]+ 244.97581 154.0
[M-H]- 220.97931 146.3
[M+NH4]+ 240.02041 163.0
[M+K]+ 260.94975 150.3
[M+H-H2O]+ 204.98385 138.7
[M+HCOO]- 266.98479 157.1
[M+CH3COO]- 281.00044 183.9
[M+Na-2H]- 242.96126 144.5
[M]+ 221.98604 147.0
[M]- 221.98714 147.0
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