CID 3053054

3-hydrazino-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazine

Structural Information

Molecular Formula
C10H8F3N5
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CN=NC(=N2)NN
InChI
InChI=1S/C10H8F3N5/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-18-9(16-8)17-14/h1-5H,14H2,(H,16,17,18)
InChIKey
KDEAMNZLDHHLDO-UHFFFAOYSA-N
Compound name
[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

255.07318 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08046 153.0
[M+Na]+ 278.06240 162.3
[M-H]- 254.06590 152.0
[M+NH4]+ 273.10700 165.0
[M+K]+ 294.03634 156.9
[M+H-H2O]+ 238.07044 141.1
[M+HCOO]- 300.07138 171.3
[M+CH3COO]- 314.08703 197.6
[M+Na-2H]- 276.04785 160.8
[M]+ 255.07263 146.7
[M]- 255.07373 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe