CID 475647

Chembl299240

Structural Information

Molecular Formula
C17H14FNO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=CC=CC=C3F)O
InChI
InChI=1S/C17H14FNO3S/c18-16-9-5-4-8-15(16)17(20)13-10-11-19(12-13)23(21,22)14-6-2-1-3-7-14/h1-12,17,20H
InChIKey
QUTXFQHDFHSSSC-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)pyrrol-3-yl]-(2-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.06784 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07512 173.8
[M+Na]+ 354.05706 182.6
[M-H]- 330.06056 180.6
[M+NH4]+ 349.10166 187.6
[M+K]+ 370.03100 177.0
[M+H-H2O]+ 314.06510 165.5
[M+HCOO]- 376.06604 189.1
[M+CH3COO]- 390.08169 201.5
[M+Na-2H]- 352.04251 174.8
[M]+ 331.06729 174.8
[M]- 331.06839 174.8
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.