CID 21942014

4-chloro-7-methylquinazoline

Structural Information

Molecular Formula
C9H7ClN2
SMILES
CC1=CC2=C(C=C1)C(=NC=N2)Cl
InChI
InChI=1S/C9H7ClN2/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
InChIKey
OCHWJELTXIZAIN-UHFFFAOYSA-N
Compound name
4-chloro-7-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

178.02977 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.8
[M+Na]+ 201.01899 144.4
[M-H]- 177.02249 134.9
[M+NH4]+ 196.06359 152.6
[M+K]+ 216.99293 139.6
[M+H-H2O]+ 161.02703 126.1
[M+HCOO]- 223.02797 149.9
[M+CH3COO]- 237.04362 146.7
[M+Na-2H]- 199.00444 142.4
[M]+ 178.02922 135.1
[M]- 178.03032 135.1
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