CID 23317115

1432680-00-6

Structural Information

Molecular Formula
C13H19F3N2
SMILES
CCN(CC)CCNC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C13H19F3N2/c1-3-18(4-2)9-8-17-12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKey
VOELOYNDQAIWOE-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.15002 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15730 158.8
[M+Na]+ 283.13924 164.6
[M-H]- 259.14274 159.4
[M+NH4]+ 278.18384 175.8
[M+K]+ 299.11318 162.0
[M+H-H2O]+ 243.14728 149.2
[M+HCOO]- 305.14822 179.8
[M+CH3COO]- 319.16387 205.7
[M+Na-2H]- 281.12469 162.7
[M]+ 260.14947 156.1
[M]- 260.15057 156.1
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