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]+ 195.129206 138.7
[M+Na]+ 217.111148 142.7
[M-H]- 193.114654 140.3
[M+NH4]+ 212.155753 153.3
[M+K]+ 233.085088 143.0
[M+H-H2O]+ 177.119190 129.7
[M+HCOO]- 239.120131 154.2
[M+CH3COO]- 253.135781 148.9
[M+Na-2H]- 215.096596 143.5
[M]+ 194.12138142 128.3
[M]- 194.12247858 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