CID 10035003

N-benzyl-2,2-difluoroethan-1-imine

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]+ 170.07759 132.1
[M+Na]+ 192.05953 139.3
[M-H]- 168.06303 134.3
[M+NH4]+ 187.10413 152.8
[M+K]+ 208.03347 137.2
[M+H-H2O]+ 152.06757 124.1
[M+HCOO]- 214.06851 156.3
[M+CH3COO]- 228.08416 183.7
[M+Na-2H]- 190.04498 138.7
[M]+ 169.06976 129.4
[M]- 169.07086 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.