CID 464844

180905-86-6

Structural Information

Molecular Formula
C11H8FNO4S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)N2C=CC=C2C(=O)O
InChI
InChI=1S/C11H8FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-7H,(H,14,15)
InChIKey
WDTCGKUXRJFGOG-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.0158 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02308 154.6
[M+Na]+ 292.00502 164.6
[M-H]- 268.00852 158.6
[M+NH4]+ 287.04962 171.2
[M+K]+ 307.97896 160.7
[M+H-H2O]+ 252.01306 147.7
[M+HCOO]- 314.01400 170.7
[M+CH3COO]- 328.02965 188.8
[M+Na-2H]- 289.99047 156.3
[M]+ 269.01525 156.7
[M]- 269.01635 156.7
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.