CID 62195914

1-(2,4-difluorophenyl)-n-ethylpropan-2-amine

Structural Information

Molecular Formula
C11H15F2N
SMILES
CCNC(C)CC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C11H15F2N/c1-3-14-8(2)6-9-4-5-10(12)7-11(9)13/h4-5,7-8,14H,3,6H2,1-2H3
InChIKey
UMTJQTYXDACVPM-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.124526 142.4
[M+Na]+ 222.106468 149.8
[M-H]- 198.109974 143.5
[M+NH4]+ 217.151073 161.8
[M+K]+ 238.080408 147.0
[M+H-H2O]+ 182.114510 134.7
[M+HCOO]- 244.115451 164.2
[M+CH3COO]- 258.131101 190.8
[M+Na-2H]- 220.091916 145.9
[M]+ 199.11670142 140.1
[M]- 199.11779858 140.1
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

No patent data available for this compound.