CID 16775394

[(3,4-difluorophenyl)methyl][2-(dimethylamino)ethyl]amine

Structural Information

Molecular Formula
C11H16F2N2
SMILES
CN(C)CCNCC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C11H16F2N2/c1-15(2)6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey
BJWXDXKVROFRQK-UHFFFAOYSA-N
Compound name
N-[(3,4-difluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

214.12816 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.135436 146.4
[M+Na]+ 237.117378 153.3
[M-H]- 213.120884 148.8
[M+NH4]+ 232.161983 165.5
[M+K]+ 253.091318 151.3
[M+H-H2O]+ 197.125420 137.8
[M+HCOO]- 259.126361 170.6
[M+CH3COO]- 273.142011 198.4
[M+Na-2H]- 235.102826 150.6
[M]+ 214.12761142 145.2
[M]- 214.12870858 145.2
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