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

No literature data available for this compound.

Patent stripe

patents stripe