CID 19374444

4-(benzyloxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13NO3S
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H13NO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
InChIKey
AXTWZRIPELRWHW-UHFFFAOYSA-N
Compound name
4-phenylmethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

263.0616 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 156.6
[M+Na]+ 286.05082 164.6
[M-H]- 262.05432 163.2
[M+NH4]+ 281.09542 173.0
[M+K]+ 302.02476 160.3
[M+H-H2O]+ 246.05886 149.4
[M+HCOO]- 308.05980 176.0
[M+CH3COO]- 322.07545 193.2
[M+Na-2H]- 284.03627 161.8
[M]+ 263.06105 158.5
[M]- 263.06215 158.5
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

patents stripe