CID 464709

173908-29-7

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
C1=CN(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C10H9ClN2O2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h1-7H,12H2
InChIKey
JNLQZWXKSGAKSO-UHFFFAOYSA-N
Compound name
5-chloro-2-pyrrol-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

256.00732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 153.7
[M+Na]+ 278.99654 164.8
[M-H]- 255.00004 160.0
[M+NH4]+ 274.04114 172.3
[M+K]+ 294.97048 159.2
[M+H-H2O]+ 239.00458 148.0
[M+HCOO]- 301.00552 168.8
[M+CH3COO]- 315.02117 189.4
[M+Na-2H]- 276.98199 156.5
[M]+ 256.00677 157.0
[M]- 256.00787 157.0
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

No patent data available for this compound.