CID 165980417

3,6-difluoroazepane

Structural Information

Molecular Formula
C6H11F2N
SMILES
C1CC(CNCC1F)F
InChI
InChI=1S/C6H11F2N/c7-5-1-2-6(8)4-9-3-5/h5-6,9H,1-4H2
InChIKey
LNBJLIJRUAOZPA-UHFFFAOYSA-N
Compound name
3,6-difluoroazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.08595 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 117.4
[M+Na]+ 158.07517 121.5
[M-H]- 134.07867 116.3
[M+NH4]+ 153.11977 135.6
[M+K]+ 174.04911 123.8
[M+H-H2O]+ 118.08321 110.3
[M+HCOO]- 180.08415 133.2
[M+CH3COO]- 194.09980 172.5
[M+Na-2H]- 156.06062 122.1
[M]+ 135.08540 105.9
[M]- 135.08650 105.9
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.