CID 97301750

1965309-13-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09471 144.4
[M+Na]+ 227.07665 152.7
[M+NH4]+ 222.12125 150.4
[M+K]+ 243.05059 148.0
[M-H]- 203.08015 142.9
[M+Na-2H]- 225.06210 148.9
[M]+ 204.08688 144.9
[M]- 204.08798 144.9
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

No patent data available for this compound.