CID 24690356

[(2,4-difluorophenyl)methyl](propyl)amine

Structural Information

Molecular Formula
C10H13F2N
SMILES
CCCNCC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C10H13F2N/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6,13H,2,5,7H2,1H3
InChIKey
KPVAIUHSMFTAJU-UHFFFAOYSA-N
Compound name
N-[(2,4-difluorophenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

185.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.108886 137.1
[M+Na]+ 208.090828 145.2
[M-H]- 184.094334 138.3
[M+NH4]+ 203.135433 157.1
[M+K]+ 224.064768 142.2
[M+H-H2O]+ 168.098870 129.5
[M+HCOO]- 230.099811 160.2
[M+CH3COO]- 244.115461 186.9
[M+Na-2H]- 206.076276 142.5
[M]+ 185.10106142 135.1
[M]- 185.10215858 135.1
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