CID 165984324

2892260-32-9

Structural Information

Molecular Formula
C6H6F3N5O
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1N=O
InChI
InChI=1S/C6H6F3N5O/c7-6(8,9)5-11-10-4-3-13(12-15)1-2-14(4)5/h1-3H2
InChIKey
HPLUAAVIJHAQQZ-UHFFFAOYSA-N
Compound name
7-nitroso-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.05244 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05972 142.6
[M+Na]+ 244.04166 152.9
[M-H]- 220.04516 139.6
[M+NH4]+ 239.08626 158.8
[M+K]+ 260.01560 150.7
[M+H-H2O]+ 204.04970 131.6
[M+HCOO]- 266.05064 158.7
[M+CH3COO]- 280.06629 190.4
[M+Na-2H]- 242.02711 149.2
[M]+ 221.05189 138.9
[M]- 221.05299 138.9
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