CID 135392953

3,3,4,4,5,5,6,6-octafluoroazepane-2,7-diimine

Structural Information

Molecular Formula
C6H3F8N3
SMILES
C1(=NC(=N)C(C(C(C1(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C6H3F8N3/c7-3(8)1(15)17-2(16)4(9,10)6(13,14)5(3,11)12/h(H3,15,16,17)
InChIKey
GKKUNYKYDOYLQY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluoro-7-iminoazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.01993 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02721 121.3
[M+Na]+ 292.00915 133.3
[M-H]- 268.01265 117.1
[M+NH4]+ 287.05375 142.2
[M+K]+ 307.98309 133.4
[M+H-H2O]+ 252.01719 111.7
[M+HCOO]- 314.01813 135.5
[M+CH3COO]- 328.03378 202.5
[M+Na-2H]- 289.99460 127.0
[M]+ 269.01938 106.6
[M]- 269.02048 106.6
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.