CID 2780455

6-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H6F13N5O
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C10H6F13N5O/c11-5(12,1-29-4-27-2(24)26-3(25)28-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H4,24,25,26,27,28)
InChIKey
YPGCCGOAPJDVQF-UHFFFAOYSA-N
Compound name
6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

459.03647 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.043746 192.0
[M+Na]+ 482.025688 201.5
[M-H]- 458.029194 177.3
[M+NH4]+ 477.070293 195.4
[M+K]+ 497.999628 196.5
[M+H-H2O]+ 442.033730 175.3
[M+HCOO]- 504.034671 190.0
[M+CH3COO]- 518.050321 234.0
[M+Na-2H]- 480.011136 195.5
[M]+ 459.03592142 171.4
[M]- 459.03701858 171.4
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