CID 625144

2-(3-carboxyanilino)-4,6-dichloro-1,3,5-triazine

Structural Information

Molecular Formula
C10H6Cl2N4O2
SMILES
C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-2-5(4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)
InChIKey
WQKKRBIBVKBSPV-UHFFFAOYSA-N
Compound name
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

283.9868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99408 154.6
[M+Na]+ 306.97602 165.1
[M-H]- 282.97952 156.0
[M+NH4]+ 302.02062 166.7
[M+K]+ 322.94996 159.0
[M+H-H2O]+ 266.98406 146.6
[M+HCOO]- 328.98500 165.6
[M+CH3COO]- 343.00065 196.6
[M+Na-2H]- 304.96147 160.5
[M]+ 283.98625 157.0
[M]- 283.98735 157.0
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