CID 79718356

1798728-62-7

Structural Information

Molecular Formula
C10H13ClFN3
SMILES
C1CNCCN(C1)C2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C10H13ClFN3/c11-8-6-9(12)10(14-7-8)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
InChIKey
OLASVOQJQRJGBC-UHFFFAOYSA-N
Compound name
1-(5-chloro-3-fluoropyridin-2-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0782 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08548 144.0
[M+Na]+ 252.06742 150.9
[M-H]- 228.07092 144.2
[M+NH4]+ 247.11202 157.1
[M+K]+ 268.04136 149.8
[M+H-H2O]+ 212.07546 133.4
[M+HCOO]- 274.07640 154.2
[M+CH3COO]- 288.09205 153.9
[M+Na-2H]- 250.05287 148.2
[M]+ 229.07765 135.9
[M]- 229.07875 135.9
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.