CID 68691206

2947423-65-4

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
C1=CC(=CC=C1C(C(=O)O)N2C=CN=C2)Cl
InChI
InChI=1S/C11H9ClN2O2/c12-9-3-1-8(2-4-9)10(11(15)16)14-6-5-13-7-14/h1-7,10H,(H,15,16)
InChIKey
LZUVKUFSDANPTI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-imidazol-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.03525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.042526 148.2
[M+Na]+ 259.024468 156.8
[M-H]- 235.027974 151.2
[M+NH4]+ 254.069073 164.8
[M+K]+ 274.998408 152.4
[M+H-H2O]+ 219.032510 140.8
[M+HCOO]- 281.033451 164.2
[M+CH3COO]- 295.049101 185.6
[M+Na-2H]- 257.009916 151.3
[M]+ 236.03470142 149.5
[M]- 236.03579858 149.5
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