CID 168435493

4-(difluoromethoxy)azepane

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1CC(CCNC1)OC(F)F
InChI
InChI=1S/C7H13F2NO/c8-7(9)11-6-2-1-4-10-5-3-6/h6-7,10H,1-5H2
InChIKey
ZJZIABZHTJWAEU-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10381 128.1
[M+Na]+ 188.08575 134.3
[M+NH4]+ 183.13035 134.0
[M+K]+ 204.05969 131.6
[M-H]- 164.08925 125.8
[M+Na-2H]- 186.07120 131.6
[M]+ 165.09598 127.9
[M]- 165.09708 127.9
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.