CID 206166

43027-27-6

Structural Information

Molecular Formula
C13H16FN5
SMILES
CN(C)C1=NC(=NC(=N1)C2=CC=C(C=C2)F)N(C)C
InChI
InChI=1S/C13H16FN5/c1-18(2)12-15-11(16-13(17-12)19(3)4)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChIKey
XAHDJBWAPOPLMS-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.13898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14626 160.3
[M+Na]+ 284.12820 168.9
[M-H]- 260.13170 165.0
[M+NH4]+ 279.17280 173.9
[M+K]+ 300.10214 166.5
[M+H-H2O]+ 244.13624 148.9
[M+HCOO]- 306.13718 182.9
[M+CH3COO]- 320.15283 209.9
[M+Na-2H]- 282.11365 165.8
[M]+ 261.13843 161.8
[M]- 261.13953 161.8
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

No patent data available for this compound.