CID 12211233

54643-79-7

Structural Information

Molecular Formula
C15H8Cl2N2O2
SMILES
C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C(=O)O)Cl
InChI
InChI=1S/C15H8Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-14(18-12)15(20)21)9-3-1-2-4-11(9)17/h1-7H,(H,20,21)
InChIKey
WPSNLOADPUPVMP-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.99628 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00356 164.7
[M+Na]+ 340.98550 176.3
[M-H]- 316.98900 168.2
[M+NH4]+ 336.03010 178.2
[M+K]+ 356.95944 168.9
[M+H-H2O]+ 300.99354 157.0
[M+HCOO]- 362.99448 174.1
[M+CH3COO]- 377.01013 175.8
[M+Na-2H]- 338.97095 169.9
[M]+ 317.99573 168.6
[M]- 317.99683 168.6
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.