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]+ 460.04375 192.0
[M+Na]+ 482.02569 201.5
[M-H]- 458.02919 177.3
[M+NH4]+ 477.07029 195.4
[M+K]+ 497.99963 196.5
[M+H-H2O]+ 442.03373 175.3
[M+HCOO]- 504.03467 190.0
[M+CH3COO]- 518.05032 234.0
[M+Na-2H]- 480.01114 195.5
[M]+ 459.03592 171.4
[M]- 459.03702 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