CID 22281318

356044-81-0

Structural Information

Molecular Formula
C7H15FN2
SMILES
C1CNCCN(C1)CCF
InChI
InChI=1S/C7H15FN2/c8-2-6-10-5-1-3-9-4-7-10/h9H,1-7H2
InChIKey
QZPJUPNIVVBDBF-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

146.12193 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.12921 125.7
[M+Na]+ 169.11115 128.7
[M-H]- 145.11465 123.9
[M+NH4]+ 164.15575 142.0
[M+K]+ 185.08509 130.8
[M+H-H2O]+ 129.11919 117.4
[M+HCOO]- 191.12013 140.8
[M+CH3COO]- 205.13578 174.3
[M+Na-2H]- 167.09660 130.8
[M]+ 146.12138 115.8
[M]- 146.12248 115.8
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

patents stripe