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

27
Patents

192.05104 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058316 135.3
[M+Na]+ 215.040258 144.1
[M-H]- 191.043764 132.4
[M+NH4]+ 210.084863 153.0
[M+K]+ 231.014198 141.9
[M+H-H2O]+ 175.048300 126.7
[M+HCOO]- 237.049241 148.7
[M+CH3COO]- 251.064891 177.2
[M+Na-2H]- 213.025706 141.5
[M]+ 192.05049142 128.7
[M]- 192.05158858 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