CID 668462

2-(2-chloro-6-fluorophenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C17H12ClFN2
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C17H12ClFN2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9,17,20-21H
InChIKey
RZKKGVHUAWXVGC-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

298.0673 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07458 166.3
[M+Na]+ 321.05652 176.0
[M-H]- 297.06002 167.1
[M+NH4]+ 316.10112 180.6
[M+K]+ 337.03046 166.4
[M+H-H2O]+ 281.06456 156.8
[M+HCOO]- 343.06550 174.9
[M+CH3COO]- 357.08115 175.8
[M+Na-2H]- 319.04197 172.4
[M]+ 298.06675 163.1
[M]- 298.06785 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe