CID 12094244

2-(4-(1h-pyrazol-1-yl)phenyl)acetic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H10N2O2/c14-11(15)8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
InChIKey
LFSKFPXFMVLNGR-UHFFFAOYSA-N
Compound name
2-(4-pyrazol-1-ylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

202.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 142.3
[M+Na]+ 225.06345 150.5
[M-H]- 201.06695 145.4
[M+NH4]+ 220.10805 159.5
[M+K]+ 241.03739 147.3
[M+H-H2O]+ 185.07149 134.4
[M+HCOO]- 247.07243 164.0
[M+CH3COO]- 261.08808 180.9
[M+Na-2H]- 223.04890 147.0
[M]+ 202.07368 142.2
[M]- 202.07478 142.2
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