CID 119086395

4-chloro-7-fluoro-6-methoxy-2-methylquinazoline

Structural Information

Molecular Formula
C10H8ClFN2O
SMILES
CC1=NC2=CC(=C(C=C2C(=N1)Cl)OC)F
InChI
InChI=1S/C10H8ClFN2O/c1-5-13-8-4-7(12)9(15-2)3-6(8)10(11)14-5/h3-4H,1-2H3
InChIKey
QTHVVJIFDGSVDR-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-6-methoxy-2-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.03091 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03819 143.1
[M+Na]+ 249.02013 156.1
[M-H]- 225.02363 144.4
[M+NH4]+ 244.06473 161.4
[M+K]+ 264.99407 151.1
[M+H-H2O]+ 209.02817 135.6
[M+HCOO]- 271.02911 159.0
[M+CH3COO]- 285.04476 190.2
[M+Na-2H]- 247.00558 150.1
[M]+ 226.03036 147.0
[M]- 226.03146 147.0
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