CID 11045526

60656-74-8

Structural Information

Molecular Formula
C15H9Cl2FN2O
SMILES
C1=CC=C(C(=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CCl)[O-])F
InChI
InChI=1S/C15H9Cl2FN2O/c16-8-14-19-13-6-5-9(17)7-11(13)15(20(14)21)10-3-1-2-4-12(10)18/h1-7H,8H2
InChIKey
HKJMWTDLQYSQDH-UHFFFAOYSA-N
Compound name
6-chloro-2-(chloromethyl)-4-(2-fluorophenyl)-3-oxidoquinazolin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0076 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01488 168.6
[M+Na]+ 344.99682 179.6
[M-H]- 321.00032 170.0
[M+NH4]+ 340.04142 181.5
[M+K]+ 360.97076 167.2
[M+H-H2O]+ 305.00486 164.1
[M+HCOO]- 367.00580 177.5
[M+CH3COO]- 381.02145 197.1
[M+Na-2H]- 342.98227 174.6
[M]+ 322.00705 169.4
[M]- 322.00815 169.4
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

No patent data available for this compound.