CID 88795

21132-30-9

Structural Information

Molecular Formula
C13H2F10N2O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)NC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H2F10N2O/c14-1-3(16)7(20)11(8(21)4(1)17)24-13(26)25-12-9(22)5(18)2(15)6(19)10(12)23/h(H2,24,25,26)
InChIKey
JXOIMJFRROBTTE-UHFFFAOYSA-N
Compound name
1,3-bis(2,3,4,5,6-pentafluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

392.00073 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.00801 177.7
[M+Na]+ 414.98995 192.6
[M-H]- 390.99345 174.2
[M+NH4]+ 410.03455 189.6
[M+K]+ 430.96389 185.1
[M+H-H2O]+ 374.99799 162.3
[M+HCOO]- 436.99893 192.2
[M+CH3COO]- 451.01458 229.8
[M+Na-2H]- 412.97540 172.0
[M]+ 392.00018 166.8
[M]- 392.00128 166.8
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