CID 136765558

6-chloro-7-fluoro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C8H4ClFN2O
SMILES
C1=C2C(=CC(=C1Cl)F)N=CNC2=O
InChI
InChI=1S/C8H4ClFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)
InChIKey
ZTNDXMBXYIXSDC-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99962 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00690 133.3
[M+Na]+ 220.98884 146.1
[M-H]- 196.99234 133.3
[M+NH4]+ 216.03344 151.8
[M+K]+ 236.96278 140.1
[M+H-H2O]+ 180.99688 126.4
[M+HCOO]- 242.99782 148.7
[M+CH3COO]- 257.01347 146.8
[M+Na-2H]- 218.97429 141.8
[M]+ 197.99907 133.7
[M]- 198.00017 133.7
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