CID 9554266

Benzaldehyde, (4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl)hydrazone

Structural Information

Molecular Formula
C11H9F3N6
SMILES
C1=CC=C(C=C1)/C=N/NC2=NC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C11H9F3N6/c12-11(13,14)8-17-9(15)19-10(18-8)20-16-6-7-4-2-1-3-5-7/h1-6H,(H3,15,17,18,19,20)/b16-6+
InChIKey
UCBVTMFYIFRQSZ-OMCISZLKSA-N
Compound name
2-N-[(E)-benzylideneamino]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08408 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09136 159.6
[M+Na]+ 305.07330 168.4
[M-H]- 281.07680 159.9
[M+NH4]+ 300.11790 170.9
[M+K]+ 321.04724 163.1
[M+H-H2O]+ 265.08134 147.0
[M+HCOO]- 327.08228 180.3
[M+CH3COO]- 341.09793 206.6
[M+Na-2H]- 303.05875 167.9
[M]+ 282.08353 154.1
[M]- 282.08463 154.1
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.