CID 66875002

1189583-13-8

Structural Information

Molecular Formula
C9H9F3N2O3
SMILES
C1COCC2=C1N(N=C2C(F)(F)F)CC(=O)O
InChI
InChI=1S/C9H9F3N2O3/c10-9(11,12)8-5-4-17-2-1-6(5)14(13-8)3-7(15)16/h1-4H2,(H,15,16)
InChIKey
OIAIWNVEXBQNRE-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

250.05653 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06381 155.5
[M+Na]+ 273.04575 162.0
[M+NH4]+ 268.09035 159.1
[M+K]+ 289.01969 161.0
[M-H]- 249.04925 150.6
[M+Na-2H]- 271.03120 154.9
[M]+ 250.05598 154.4
[M]- 250.05708 154.4
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