CID 28576875

1021035-66-4

Structural Information

Molecular Formula
C11H15F3N2O
SMILES
CN(C)CCNC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C11H15F3N2O/c1-16(2)8-7-15-9-3-5-10(6-4-9)17-11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKey
OFUHLWNUICNFRY-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12093 152.6
[M+Na]+ 271.10287 159.1
[M-H]- 247.10637 153.5
[M+NH4]+ 266.14747 170.0
[M+K]+ 287.07681 157.6
[M+H-H2O]+ 231.11091 143.2
[M+HCOO]- 293.11185 174.4
[M+CH3COO]- 307.12750 201.7
[M+Na-2H]- 269.08832 157.6
[M]+ 248.11310 150.6
[M]- 248.11420 150.6
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.