CID 2775763

2,3,4-trifluoro-6-nitroaniline

Structural Information

Molecular Formula
C6H3F3N2O2
SMILES
C1=C(C(=C(C(=C1F)F)F)N)[N+](=O)[O-]
InChI
InChI=1S/C6H3F3N2O2/c7-2-1-3(11(12)13)6(10)5(9)4(2)8/h1H,10H2
InChIKey
ILENVKAVEFKZSD-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

192.01466 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02194 128.5
[M+Na]+ 215.00388 139.0
[M-H]- 191.00738 129.1
[M+NH4]+ 210.04848 147.4
[M+K]+ 230.97782 132.3
[M+H-H2O]+ 175.01192 125.3
[M+HCOO]- 237.01286 152.4
[M+CH3COO]- 251.02851 180.4
[M+Na-2H]- 212.98933 134.0
[M]+ 192.01411 122.6
[M]- 192.01521 122.6
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