CID 3838097

[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

Structural Information

Molecular Formula
C7H6F3N3O2
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN
InChI
InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
InChIKey
WJBJSMUUWDXKBR-UHFFFAOYSA-N
Compound name
[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

27
Patents

221.04121 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04849 135.8
[M+Na]+ 244.03043 143.6
[M-H]- 220.03393 135.7
[M+NH4]+ 239.07503 152.7
[M+K]+ 260.00437 137.1
[M+H-H2O]+ 204.03847 132.1
[M+HCOO]- 266.03941 158.9
[M+CH3COO]- 280.05506 185.5
[M+Na-2H]- 242.01588 143.7
[M]+ 221.04066 128.0
[M]- 221.04176 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe