CID 16227013

4-chloro-7-fluoroquinazoline

Structural Information

Molecular Formula
C8H4ClFN2
SMILES
C1=CC2=C(C=C1F)N=CN=C2Cl
InChI
InChI=1S/C8H4ClFN2/c9-8-6-2-1-5(10)3-7(6)11-4-12-8/h1-4H
InChIKey
JHBYQJRHJVEKPK-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

284
Patents

182.0047 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01198 130.3
[M+Na]+ 204.99392 142.4
[M-H]- 180.99742 131.2
[M+NH4]+ 200.03852 149.9
[M+K]+ 220.96786 137.4
[M+H-H2O]+ 165.00196 122.9
[M+HCOO]- 227.00290 146.8
[M+CH3COO]- 241.01855 144.2
[M+Na-2H]- 202.97937 140.0
[M]+ 182.00415 131.3
[M]- 182.00525 131.3
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