CID 24622059

1011130-91-8

Structural Information

Molecular Formula
C19H15ClFN3O3S
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C19H15ClFN3O3S/c20-17-12-16(9-10-18(17)21)28(26,27)24-15-8-4-7-14(11-15)23-19(25)22-13-5-2-1-3-6-13/h1-12,24H,(H2,22,23,25)
InChIKey
ZGSCLTVLXIAJQY-UHFFFAOYSA-N
Compound name
1-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.05066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05794 192.2
[M+Na]+ 442.03988 199.5
[M-H]- 418.04338 200.7
[M+NH4]+ 437.08448 202.4
[M+K]+ 458.01382 192.1
[M+H-H2O]+ 402.04792 182.9
[M+HCOO]- 464.04886 207.1
[M+CH3COO]- 478.06451 225.5
[M+Na-2H]- 440.02533 196.5
[M]+ 419.05011 194.1
[M]- 419.05121 194.1
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.