CID 136030734

1263303-96-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.03613 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04341 151.9
[M+Na]+ 296.02535 156.5
[M-H]- 272.02885 151.2
[M+NH4]+ 291.06995 165.4
[M+K]+ 311.99929 144.9
[M+H-H2O]+ 256.03339 152.5
[M+HCOO]- 318.03433 171.9
[M+CH3COO]- 332.04998 186.8
[M+Na-2H]- 294.01080 158.6
[M]+ 273.03558 140.3
[M]- 273.03668 140.3
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.