CID 17605588

54672-12-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

204.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.094706 140.3
[M+Na]+ 227.076648 148.7
[M-H]- 203.080154 141.5
[M+NH4]+ 222.121253 159.6
[M+K]+ 243.050588 146.8
[M+H-H2O]+ 187.084690 131.9
[M+HCOO]- 249.085631 161.9
[M+CH3COO]- 263.101281 194.1
[M+Na-2H]- 225.062096 144.6
[M]+ 204.08688142 135.5
[M]- 204.08797858 135.5
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