CID 3755830

1-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine

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 142.6
[M+Na]+ 289.01550 149.4
[M-H]- 265.01900 142.6
[M+NH4]+ 284.06010 156.3
[M+K]+ 304.98944 139.2
[M+H-H2O]+ 249.02354 143.0
[M+HCOO]- 311.02448 165.9
[M+CH3COO]- 325.04013 188.7
[M+Na-2H]- 287.00095 151.8
[M]+ 266.02573 133.9
[M]- 266.02683 133.9
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