CID 4157760

870704-12-4

Structural Information

Molecular Formula
C9H7F2N5
SMILES
C1=C(C=C(C=C1F)F)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H7F2N5/c10-5-1-4(2-6(11)3-5)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKey
KZOOJXHXDYIPOL-UHFFFAOYSA-N
Compound name
6-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

223.06696 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07424 146.8
[M+Na]+ 246.05618 158.0
[M-H]- 222.05968 147.3
[M+NH4]+ 241.10078 160.4
[M+K]+ 262.03012 152.5
[M+H-H2O]+ 206.06422 136.0
[M+HCOO]- 268.06516 167.5
[M+CH3COO]- 282.08081 158.5
[M+Na-2H]- 244.04163 152.3
[M]+ 223.06641 141.8
[M]- 223.06751 141.8
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