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]+ 274.04341 149.4
[M+Na]+ 296.02535 155.4
[M-H]- 272.02885 149.2
[M+NH4]+ 291.06995 163.8
[M+K]+ 311.99929 148.3
[M+H-H2O]+ 256.03339 145.2
[M+HCOO]- 318.03433 171.0
[M+CH3COO]- 332.04998 193.3
[M+Na-2H]- 294.01080 155.4
[M]+ 273.03558 141.1
[M]- 273.03668 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.