CID 310375

Nsc213856

Structural Information

Molecular Formula
C14H11ClF3N3O3S
SMILES
C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)N
InChI
InChI=1S/C14H11ClF3N3O3S/c15-11-6-1-8(14(16,17)18)7-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKey
HZGSAIKPYCRYIF-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.01617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02345 180.2
[M+Na]+ 416.00539 188.6
[M-H]- 392.00889 183.0
[M+NH4]+ 411.04999 191.7
[M+K]+ 431.97933 181.9
[M+H-H2O]+ 376.01343 171.0
[M+HCOO]- 438.01437 191.0
[M+CH3COO]- 452.03002 219.3
[M+Na-2H]- 413.99084 183.1
[M]+ 393.01562 178.8
[M]- 393.01672 178.8
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.