CID 3755830

2002-68-8

Structural Information

Molecular Formula
C7H5F3N4O4
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])NN)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C7H5F3N4O4/c8-7(9,10)3-1-4(13(15)16)6(12-11)5(2-3)14(17)18/h1-2,12H,11H2
InChIKey
ONKIRGVIGHJYHR-UHFFFAOYSA-N
Compound name
[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

266.02628 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03356 167.1
[M+Na]+ 289.01550 172.0
[M+NH4]+ 284.06010 174.6
[M+K]+ 304.98944 179.6
[M-H]- 265.01900 163.1
[M+Na-2H]- 287.00095 140.4
[M]+ 266.02573 168.4
[M]- 266.02683 168.4
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

patents stripe