CID 2781008

288161-40-0

Structural Information

Molecular Formula
C19H11F13N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H11F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)11-8-4-5-9-12(11)34-13(35)33-10-6-2-1-3-7-10/h1-9H,(H2,33,34,35)
InChIKey
PXRFFHCMLAVCDR-UHFFFAOYSA-N
Compound name
1-phenyl-3-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

530.0664 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.07368 208.3
[M+Na]+ 553.05562 215.5
[M-H]- 529.05912 199.5
[M+NH4]+ 548.10022 212.6
[M+K]+ 569.02956 209.2
[M+H-H2O]+ 513.06366 191.1
[M+HCOO]- 575.06460 209.0
[M+CH3COO]- 589.08025 245.5
[M+Na-2H]- 551.04107 211.1
[M]+ 530.06585 188.0
[M]- 530.06695 188.0
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

patents stripe