CID 60417

Sulofenur

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2O3S/c17-13-5-7-14(8-6-13)18-16(20)19-23(21,22)15-9-4-11-2-1-3-12(11)10-15/h4-10H,1-3H2,(H2,18,19,20)
InChIKey
JQJSFAJISYZPER-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

59
References

19137
Patents

350.0492 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05648 178.2
[M+Na]+ 373.03842 186.0
[M-H]- 349.04192 186.0
[M+NH4]+ 368.08302 194.8
[M+K]+ 389.01236 180.1
[M+H-H2O]+ 333.04646 172.5
[M+HCOO]- 395.04740 192.1
[M+CH3COO]- 409.06305 209.3
[M+Na-2H]- 371.02387 181.8
[M]+ 350.04865 181.3
[M]- 350.04975 181.3
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