CID 19622838

1197235-31-6

Structural Information

Molecular Formula
C6H8F3N3O
SMILES
COC1=NN(C=C1N)CC(F)(F)F
InChI
InChI=1S/C6H8F3N3O/c1-13-5-4(10)2-12(11-5)3-6(7,8)9/h2H,3,10H2,1H3
InChIKey
YQAGKQDSROCYTM-UHFFFAOYSA-N
Compound name
3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06923 135.4
[M+Na]+ 218.05117 145.5
[M-H]- 194.05467 132.8
[M+NH4]+ 213.09577 153.9
[M+K]+ 234.02511 143.6
[M+H-H2O]+ 178.05921 126.4
[M+HCOO]- 240.06015 154.9
[M+CH3COO]- 254.07580 184.1
[M+Na-2H]- 216.03662 139.8
[M]+ 195.06140 132.2
[M]- 195.06250 132.2
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