CID 7017348

1004194-23-3

Structural Information

Molecular Formula
C11H8ClFN2O3
SMILES
C1=CC(=CC=C1OCN2C=C(C(=N2)C(=O)O)Cl)F
InChI
InChI=1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-7(13)2-4-8/h1-5H,6H2,(H,16,17)
InChIKey
MHFVMDJIDYQZNY-UHFFFAOYSA-N
Compound name
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02075 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02803 152.5
[M+Na]+ 293.00997 163.2
[M-H]- 269.01347 154.8
[M+NH4]+ 288.05457 168.3
[M+K]+ 308.98391 158.4
[M+H-H2O]+ 253.01801 144.4
[M+HCOO]- 315.01895 168.7
[M+CH3COO]- 329.03460 191.8
[M+Na-2H]- 290.99542 154.9
[M]+ 270.02020 155.6
[M]- 270.02130 155.6
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.