CID 138635110

2331111-66-9

Structural Information

Molecular Formula
C12H8ClFN2
SMILES
C1=CC=C(C(=C1)C=NC2=CC(=CN=C2)F)Cl
InChI
InChI=1S/C12H8ClFN2/c13-12-4-2-1-3-9(12)6-16-11-5-10(14)7-15-8-11/h1-8H
InChIKey
HZKDCBFJWJRVGA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N-(5-fluoropyridin-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.03601 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04329 147.1
[M+Na]+ 257.02523 157.3
[M-H]- 233.02873 152.6
[M+NH4]+ 252.06983 164.9
[M+K]+ 272.99917 151.5
[M+H-H2O]+ 217.03327 138.5
[M+HCOO]- 279.03421 167.8
[M+CH3COO]- 293.04986 193.3
[M+Na-2H]- 255.01068 154.6
[M]+ 234.03546 148.2
[M]- 234.03656 148.2
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