CID 28902386

1-n-ethyl-3-(trifluoromethyl)benzene-1,4-diamine

Structural Information

Molecular Formula
C9H11F3N2
SMILES
CCNC1=CC(=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C9H11F3N2/c1-2-14-6-3-4-8(13)7(5-6)9(10,11)12/h3-5,14H,2,13H2,1H3
InChIKey
SGZFOKFZGQSKFJ-UHFFFAOYSA-N
Compound name
4-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.094706 140.3
[M+Na]+ 227.076648 148.5
[M-H]- 203.080154 140.0
[M+NH4]+ 222.121253 158.9
[M+K]+ 243.050588 145.2
[M+H-H2O]+ 187.084690 132.0
[M+HCOO]- 249.085631 161.4
[M+CH3COO]- 263.101281 190.7
[M+Na-2H]- 225.062096 145.3
[M]+ 204.08688142 134.2
[M]- 204.08797858 134.2
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