CID 16119682

1-(4-fluorophenyl)-1,4-diazepane

Structural Information

Molecular Formula
C11H15FN2
SMILES
C1CNCCN(C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H15FN2/c12-10-2-4-11(5-3-10)14-8-1-6-13-7-9-14/h2-5,13H,1,6-9H2
InChIKey
ZJBBRYVFIKSKOQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.12193 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12921 138.7
[M+Na]+ 217.11115 142.7
[M-H]- 193.11465 140.3
[M+NH4]+ 212.15575 153.3
[M+K]+ 233.08509 143.0
[M+H-H2O]+ 177.11919 129.7
[M+HCOO]- 239.12013 154.2
[M+CH3COO]- 253.13578 148.9
[M+Na-2H]- 215.09660 143.5
[M]+ 194.12138 128.3
[M]- 194.12248 128.3
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