CID 56604620

1349718-86-0

Structural Information

Molecular Formula
C13H13NO3S
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CO)S(=O)(=O)N
InChI
InChI=1S/C13H13NO3S/c14-18(16,17)13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2,(H2,14,16,17)
InChIKey
WGDLNZQTRPKSKN-UHFFFAOYSA-N
Compound name
2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.0616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 156.5
[M+Na]+ 286.05082 164.8
[M-H]- 262.05432 161.9
[M+NH4]+ 281.09542 172.3
[M+K]+ 302.02476 159.7
[M+H-H2O]+ 246.05886 149.7
[M+HCOO]- 308.05980 174.3
[M+CH3COO]- 322.07545 192.0
[M+Na-2H]- 284.03627 160.6
[M]+ 263.06105 157.0
[M]- 263.06215 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

patents stripe