CID 10035003

[n(e)]-n-(2,2-difluoroethylidene)benzenemethanamine

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1=CC=C(C=C1)CN=CC(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKey
WSTZSPXXAOOKKY-UHFFFAOYSA-N
Compound name
N-benzyl-2,2-difluoroethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07031 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 132.1
[M+Na]+ 192.059528 139.3
[M-H]- 168.063034 134.3
[M+NH4]+ 187.104133 152.8
[M+K]+ 208.033468 137.2
[M+H-H2O]+ 152.067570 124.1
[M+HCOO]- 214.068511 156.3
[M+CH3COO]- 228.084161 183.7
[M+Na-2H]- 190.044976 138.7
[M]+ 169.06976142 129.4
[M]- 169.07085858 129.4
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.