CID 135541234

730976-60-0

Structural Information

Molecular Formula
C10H6ClF3N2O
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(NC2=O)CCl
InChI
InChI=1S/C10H6ClF3N2O/c11-4-8-15-7-3-5(10(12,13)14)1-2-6(7)9(17)16-8/h1-3H,4H2,(H,15,16,17)
InChIKey
IFSZOKPUYPFKLT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

262.0121 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01938 149.3
[M+Na]+ 285.00132 161.8
[M-H]- 261.00482 146.6
[M+NH4]+ 280.04592 165.2
[M+K]+ 300.97526 154.8
[M+H-H2O]+ 245.00936 140.6
[M+HCOO]- 307.01030 160.2
[M+CH3COO]- 321.02595 190.9
[M+Na-2H]- 282.98677 156.1
[M]+ 262.01155 147.5
[M]- 262.01265 147.5
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