CID 118418842

4-chloro-8-fluoro-7-methoxyquinazoline

Structural Information

Molecular Formula
C9H6ClFN2O
SMILES
COC1=C(C2=C(C=C1)C(=NC=N2)Cl)F
InChI
InChI=1S/C9H6ClFN2O/c1-14-6-3-2-5-8(7(6)11)12-4-13-9(5)10/h2-4H,1H3
InChIKey
OMKZSYOUHFHBPY-UHFFFAOYSA-N
Compound name
4-chloro-8-fluoro-7-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

212.01527 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02255 138.3
[M+Na]+ 235.00449 150.7
[M-H]- 211.00799 139.4
[M+NH4]+ 230.04909 156.9
[M+K]+ 250.97843 146.0
[M+H-H2O]+ 195.01253 130.7
[M+HCOO]- 257.01347 154.6
[M+CH3COO]- 271.02912 151.9
[M+Na-2H]- 232.98994 146.6
[M]+ 212.01472 141.4
[M]- 212.01582 141.4
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