CID 130600925

2839157-51-4

Structural Information

Molecular Formula
C11H16F2N2
SMILES
CN(CC1=CC=CC=C1)CC(CN)(F)F
InChI
InChI=1S/C11H16F2N2/c1-15(9-11(12,13)8-14)7-10-5-3-2-4-6-10/h2-6H,7-9,14H2,1H3
InChIKey
XYOSJXFYFAXMQD-UHFFFAOYSA-N
Compound name
N'-benzyl-2,2-difluoro-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 146.9
[M+Na]+ 237.117378 152.4
[M-H]- 213.120884 148.3
[M+NH4]+ 232.161983 165.2
[M+K]+ 253.091318 150.4
[M+H-H2O]+ 197.125420 138.5
[M+HCOO]- 259.126361 169.0
[M+CH3COO]- 273.142011 195.7
[M+Na-2H]- 235.102826 152.2
[M]+ 214.12761142 143.4
[M]- 214.12870858 143.4
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.