CID 62100299

2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1CC1C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H11ClN2O2/c15-11-4-2-1-3-9(11)13-16-7-10(14(18)19)12(17-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19)
InChIKey
FFMWUEBTNYIZHR-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 159.6
[M+Na]+ 297.04012 170.6
[M-H]- 273.04362 166.0
[M+NH4]+ 292.08472 168.5
[M+K]+ 313.01406 163.9
[M+H-H2O]+ 257.04816 151.2
[M+HCOO]- 319.04910 175.6
[M+CH3COO]- 333.06475 170.8
[M+Na-2H]- 295.02557 163.6
[M]+ 274.05035 163.3
[M]- 274.05145 163.3
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

No patent data available for this compound.