CID 11974445

4-chloro-5-fluoroquinazoline

Structural Information

Molecular Formula
C8H4ClFN2
SMILES
C1=CC2=C(C(=C1)F)C(=NC=N2)Cl
InChI
InChI=1S/C8H4ClFN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H
InChIKey
NRVNUZHSKMEHOT-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
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

No literature data available for this compound.

Patent stripe

patents stripe