CID 50569

Brn 0553707

Structural Information

Molecular Formula
C11H8F3N5O
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3N5O/c12-11(13,14)9(20)17-19-10-16-8(6-15-18-10)7-4-2-1-3-5-7/h1-6H,(H,17,20)(H,16,18,19)
InChIKey
ZXVUJMFKAOAULH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N'-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

283.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07536 158.4
[M+Na]+ 306.05730 166.2
[M-H]- 282.06080 157.5
[M+NH4]+ 301.10190 169.0
[M+K]+ 322.03124 161.5
[M+H-H2O]+ 266.06534 146.0
[M+HCOO]- 328.06628 176.4
[M+CH3COO]- 342.08193 201.5
[M+Na-2H]- 304.04275 166.4
[M]+ 283.06753 153.0
[M]- 283.06863 153.0
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