CID 3070772

86870-50-0

Structural Information

Molecular Formula
C10H3F9N4O4
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])NN=C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C10H3F9N4O4/c11-8(12,13)3-1-4(22(24)25)6(5(2-3)23(26)27)20-21-7(9(14,15)16)10(17,18)19/h1-2,20H
InChIKey
KFKVMKWTLGWUDA-UHFFFAOYSA-N
Compound name
N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.00107 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.00835 194.9
[M+Na]+ 436.99029 206.5
[M-H]- 412.99379 205.7
[M+NH4]+ 432.03489 204.5
[M+K]+ 452.96423 203.9
[M+H-H2O]+ 396.99833 177.0
[M+HCOO]- 458.99927 214.0
[M+CH3COO]- 473.01492 215.5
[M+Na-2H]- 434.97574 191.0
[M]+ 414.00052 181.1
[M]- 414.00162 181.1
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.