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]+ 215.13544 146.9
[M+Na]+ 237.11738 152.4
[M-H]- 213.12088 148.3
[M+NH4]+ 232.16198 165.2
[M+K]+ 253.09132 150.4
[M+H-H2O]+ 197.12542 138.5
[M+HCOO]- 259.12636 169.0
[M+CH3COO]- 273.14201 195.7
[M+Na-2H]- 235.10283 152.2
[M]+ 214.12761 143.4
[M]- 214.12871 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.