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]+ 209.047616 140.1
[M+Na]+ 231.029558 150.7
[M-H]- 207.033064 140.9
[M+NH4]+ 226.074163 157.8
[M+K]+ 247.003498 145.2
[M+H-H2O]+ 191.037600 133.7
[M+HCOO]- 253.038541 154.8
[M+CH3COO]- 267.054191 152.8
[M+Na-2H]- 229.015006 147.6
[M]+ 208.03979142 141.2
[M]- 208.04088858 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.