CID 19619539

1006447-79-5

Structural Information

Molecular Formula
C9H8ClF3N2O2
SMILES
C1CC1C2=C(C(=NN2CC(=O)O)C(F)(F)F)Cl
InChI
InChI=1S/C9H8ClF3N2O2/c10-6-7(4-1-2-4)15(3-5(16)17)14-8(6)9(11,12)13/h4H,1-3H2,(H,16,17)
InChIKey
BAFHZHYAHQEHCA-UHFFFAOYSA-N
Compound name
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

268.02264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02992 147.7
[M+Na]+ 291.01186 159.6
[M-H]- 267.01536 147.9
[M+NH4]+ 286.05646 158.9
[M+K]+ 306.98580 153.0
[M+H-H2O]+ 251.01990 139.0
[M+HCOO]- 313.02084 159.6
[M+CH3COO]- 327.03649 194.6
[M+Na-2H]- 288.99731 148.9
[M]+ 268.02209 148.9
[M]- 268.02319 148.9
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