CID 121683

30377-63-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

204.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09471 140.3
[M+Na]+ 227.07665 148.5
[M-H]- 203.08015 140.0
[M+NH4]+ 222.12125 158.9
[M+K]+ 243.05059 145.2
[M+H-H2O]+ 187.08469 132.0
[M+HCOO]- 249.08563 161.4
[M+CH3COO]- 263.10128 190.7
[M+Na-2H]- 225.06210 145.3
[M]+ 204.08688 134.2
[M]- 204.08798 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