CID 9812416

T-900607

Structural Information

Molecular Formula
C14H10F5N3O4S
SMILES
COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)N
InChI
InChI=1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23)
InChIKey
FSXLOWIFSZNIMV-UHFFFAOYSA-N
Compound name
[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

26
Patents

411.03122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.03850 183.3
[M+Na]+ 434.02044 193.4
[M-H]- 410.02394 184.1
[M+NH4]+ 429.06504 193.4
[M+K]+ 449.99438 187.6
[M+H-H2O]+ 394.02848 170.9
[M+HCOO]- 456.02942 197.5
[M+CH3COO]- 470.04507 229.7
[M+Na-2H]- 432.00589 181.6
[M]+ 411.03067 180.7
[M]- 411.03177 180.7
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