CID 7017068

1002032-66-7

Structural Information

Molecular Formula
C9H10F2N2O2
SMILES
C1CC1C2=CC(=NN2CC(=O)O)C(F)F
InChI
InChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)
InChIKey
KFYMLAWTVBTSLH-UHFFFAOYSA-N
Compound name
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

216.07103 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07831 142.9
[M+Na]+ 239.06025 153.1
[M-H]- 215.06375 144.3
[M+NH4]+ 234.10485 155.1
[M+K]+ 255.03419 148.6
[M+H-H2O]+ 199.06829 133.9
[M+HCOO]- 261.06923 161.1
[M+CH3COO]- 275.08488 188.4
[M+Na-2H]- 237.04570 143.7
[M]+ 216.07048 143.2
[M]- 216.07158 143.2
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