CID 2775458

120940-43-4

Structural Information

Molecular Formula
C8H8F3N3O2
SMILES
CN(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])N
InChI
InChI=1S/C8H8F3N3O2/c1-13(12)6-3-2-5(8(9,10)11)4-7(6)14(15)16/h2-4H,12H2,1H3
InChIKey
GBBAZCATUSUQOJ-UHFFFAOYSA-N
Compound name
1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

235.05685 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06413 140.9
[M+Na]+ 258.04607 148.5
[M-H]- 234.04957 142.1
[M+NH4]+ 253.09067 157.9
[M+K]+ 274.02001 143.1
[M+H-H2O]+ 218.05411 136.9
[M+HCOO]- 280.05505 164.2
[M+CH3COO]- 294.07070 192.0
[M+Na-2H]- 256.03152 147.5
[M]+ 235.05630 134.7
[M]- 235.05740 134.7
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