CID 2769404

3,4,6-trifluoro-2-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

192.01466 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.021936 128.5
[M+Na]+ 215.003878 139.0
[M-H]- 191.007384 129.1
[M+NH4]+ 210.048483 147.4
[M+K]+ 230.977818 132.3
[M+H-H2O]+ 175.011920 125.3
[M+HCOO]- 237.012861 152.4
[M+CH3COO]- 251.028511 180.4
[M+Na-2H]- 212.989326 134.0
[M]+ 192.01411142 122.6
[M]- 192.01520858 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