CID 58265017

4,6-dichloro-2-methylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
CC1=NC(=C(C(=N1)Cl)C(=O)O)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c1-2-9-4(7)3(6(11)12)5(8)10-2/h1H3,(H,11,12)
InChIKey
SVNMTZASTXZWCQ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.96498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 132.9
[M+Na]+ 228.95420 144.8
[M-H]- 204.95770 132.9
[M+NH4]+ 223.99880 150.4
[M+K]+ 244.92814 140.3
[M+H-H2O]+ 188.96224 128.1
[M+HCOO]- 250.96318 144.3
[M+CH3COO]- 264.97883 181.2
[M+Na-2H]- 226.93965 137.9
[M]+ 205.96443 136.3
[M]- 205.96553 136.3
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