CID 50992796

3-(trifluoromethyl)-1h,4h,6h,7h-pyrano[4,3-c]pyrazole

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
C1COCC2=C1NN=C2C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-13-2-1-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKey
AWSUGGOWOZTHGT-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

192.05104 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 135.3
[M+Na]+ 215.04026 144.1
[M-H]- 191.04376 132.4
[M+NH4]+ 210.08486 153.0
[M+K]+ 231.01420 141.9
[M+H-H2O]+ 175.04830 126.7
[M+HCOO]- 237.04924 148.7
[M+CH3COO]- 251.06489 177.2
[M+Na-2H]- 213.02571 141.5
[M]+ 192.05049 128.7
[M]- 192.05159 128.7
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