CID 135506289

137225-34-4

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC(C1=NC2=CC=CC=C2C(=O)N1)Cl
InChI
InChI=1S/C10H9ClN2O/c1-6(11)9-12-8-5-3-2-4-7(8)10(14)13-9/h2-6H,1H3,(H,12,13,14)
InChIKey
RVKAESVOOUVGKF-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 140.1
[M+Na]+ 231.02956 150.7
[M-H]- 207.03306 140.9
[M+NH4]+ 226.07416 157.8
[M+K]+ 247.00350 145.2
[M+H-H2O]+ 191.03760 133.7
[M+HCOO]- 253.03854 154.8
[M+CH3COO]- 267.05419 152.8
[M+Na-2H]- 229.01501 147.6
[M]+ 208.03979 141.2
[M]- 208.04089 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.