CID 515929

1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carbonitrile

Structural Information

Molecular Formula
C11H8ClN3O2S
SMILES
C1=CN(C(=C1)C#N)S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C11H8ClN3O2S/c12-8-3-4-10(14)11(6-8)18(16,17)15-5-1-2-9(15)7-13/h1-6H,14H2
InChIKey
NURYXWKULGUUAH-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.00256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.00984 171.8
[M+Na]+ 303.99178 184.8
[M-H]- 279.99528 177.1
[M+NH4]+ 299.03638 187.4
[M+K]+ 319.96572 178.6
[M+H-H2O]+ 263.99982 159.0
[M+HCOO]- 326.00076 183.0
[M+CH3COO]- 340.01641 205.6
[M+Na-2H]- 301.97723 172.3
[M]+ 281.00201 169.8
[M]- 281.00311 169.8
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

No patent data available for this compound.