CID 176517021

1263303-96-3

Structural Information

Molecular Formula
C10H6F3N3O3
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)C(=C=N)[N+](=O)[O-]
InChI
InChI=1S/C10H6F3N3O3/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16(18)19/h1-4,14H,(H,15,17)
InChIKey
ZJJINDYZTKNCRY-UHFFFAOYSA-N
Compound name
3-imino-2-nitro-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.03613 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.043406 149.4
[M+Na]+ 296.025348 155.4
[M-H]- 272.028854 149.2
[M+NH4]+ 291.069953 163.8
[M+K]+ 311.999288 148.3
[M+H-H2O]+ 256.033390 145.2
[M+HCOO]- 318.034331 171.0
[M+CH3COO]- 332.049981 193.3
[M+Na-2H]- 294.010796 155.4
[M]+ 273.03558142 141.1
[M]- 273.03667858 141.1
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.