CID 19616647

3-(difluoromethyl)-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C8H10F2N2
SMILES
C1CCC2=C(C1)C(=NN2)C(F)F
InChI
InChI=1S/C8H10F2N2/c9-8(10)7-5-3-1-2-4-6(5)11-12-7/h8H,1-4H2,(H,11,12)
InChIKey
OGUSNGSCFPPYNE-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

172.0812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08848 133.8
[M+Na]+ 195.07042 141.3
[M-H]- 171.07392 131.3
[M+NH4]+ 190.11502 153.5
[M+K]+ 211.04436 138.0
[M+H-H2O]+ 155.07846 125.3
[M+HCOO]- 217.07940 149.2
[M+CH3COO]- 231.09505 145.3
[M+Na-2H]- 193.05587 137.5
[M]+ 172.08065 126.7
[M]- 172.08175 126.7
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