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

18
Patents

185.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10889 137.1
[M+Na]+ 208.09083 145.2
[M-H]- 184.09433 138.3
[M+NH4]+ 203.13543 157.1
[M+K]+ 224.06477 142.2
[M+H-H2O]+ 168.09887 129.5
[M+HCOO]- 230.09981 160.2
[M+CH3COO]- 244.11546 186.9
[M+Na-2H]- 206.07628 142.5
[M]+ 185.10106 135.1
[M]- 185.10216 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