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

18
Patents

212.01527 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.022546 138.3
[M+Na]+ 235.004488 150.7
[M-H]- 211.007994 139.4
[M+NH4]+ 230.049093 156.9
[M+K]+ 250.978428 146.0
[M+H-H2O]+ 195.012530 130.7
[M+HCOO]- 257.013471 154.6
[M+CH3COO]- 271.029121 151.9
[M+Na-2H]- 232.989936 146.6
[M]+ 212.01472142 141.4
[M]- 212.01581858 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