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 161.4
[M+Na]+ 297.04012 178.4
[M+NH4]+ 292.08472 169.8
[M+K]+ 313.01406 172.4
[M-H]- 273.04362 172.1
[M+Na-2H]- 295.02557 172.8
[M]+ 274.05035 168.3
[M]- 274.05145 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.