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

7
Patents

214.12816 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13544 146.4
[M+Na]+ 237.11738 153.3
[M-H]- 213.12088 148.8
[M+NH4]+ 232.16198 165.5
[M+K]+ 253.09132 151.3
[M+H-H2O]+ 197.12542 137.8
[M+HCOO]- 259.12636 170.6
[M+CH3COO]- 273.14201 198.4
[M+Na-2H]- 235.10283 150.6
[M]+ 214.12761 145.2
[M]- 214.12871 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