CID 165740424

2167584-36-1

Structural Information

Molecular Formula
C10H12F2N2O2
SMILES
C1CCC2=C(C1)C(=NN2CC(=O)O)C(F)F
InChI
InChI=1S/C10H12F2N2O2/c11-10(12)9-6-3-1-2-4-7(6)14(13-9)5-8(15)16/h10H,1-5H2,(H,15,16)
InChIKey
GEPPWHSCRJBZRK-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08669 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09397 148.0
[M+Na]+ 253.07591 155.4
[M-H]- 229.07941 145.6
[M+NH4]+ 248.12051 165.3
[M+K]+ 269.04985 152.5
[M+H-H2O]+ 213.08395 139.5
[M+HCOO]- 275.08489 162.3
[M+CH3COO]- 289.10054 187.9
[M+Na-2H]- 251.06136 148.8
[M]+ 230.08614 143.6
[M]- 230.08724 143.6
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.