CID 2369671

565172-42-1

Structural Information

Molecular Formula
C13H12FNO3S
SMILES
CN(C1=CC=C(C=C1)O)S(=O)(=O)C2=CC=CC=C2F
InChI
InChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3
InChIKey
AZGSGUOTLVNEGI-UHFFFAOYSA-N
Compound name
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0522 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05948 158.2
[M+Na]+ 304.04142 166.7
[M-H]- 280.04492 164.3
[M+NH4]+ 299.08602 174.1
[M+K]+ 320.01536 162.9
[M+H-H2O]+ 264.04946 150.2
[M+HCOO]- 326.05040 176.1
[M+CH3COO]- 340.06605 198.5
[M+Na-2H]- 302.02687 162.1
[M]+ 281.05165 159.9
[M]- 281.05275 159.9
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.