CID 464706

Chembl150930

Structural Information

Molecular Formula
C12H10FN3O4S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)N2C=CC=C2C(=O)NNC=O
InChI
InChI=1S/C12H10FN3O4S/c13-9-4-1-2-6-11(9)21(19,20)16-7-3-5-10(16)12(18)15-14-8-17/h1-8H,(H,14,17)(H,15,18)
InChIKey
GYQCECVLJMBTJD-UHFFFAOYSA-N
Compound name
N-[[1-(2-fluorophenyl)sulfonylpyrrole-2-carbonyl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.0376 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04488 165.3
[M+Na]+ 334.02682 173.6
[M-H]- 310.03032 170.2
[M+NH4]+ 329.07142 180.0
[M+K]+ 350.00076 169.5
[M+H-H2O]+ 294.03486 156.9
[M+HCOO]- 356.03580 184.6
[M+CH3COO]- 370.05145 203.0
[M+Na-2H]- 332.01227 168.4
[M]+ 311.03705 167.1
[M]- 311.03815 167.1
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.