CID 19622841

1-(2,2,3,3-tetrafluoropropyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C6H7F4N3
SMILES
C1=C(C=NN1CC(C(F)F)(F)F)N
InChI
InChI=1S/C6H7F4N3/c7-5(8)6(9,10)3-13-2-4(11)1-12-13/h1-2,5H,3,11H2
InChIKey
RYNRCWDAJQKWAM-UHFFFAOYSA-N
Compound name
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06490 134.6
[M+Na]+ 220.04684 143.5
[M-H]- 196.05034 130.3
[M+NH4]+ 215.09144 152.4
[M+K]+ 236.02078 141.2
[M+H-H2O]+ 180.05488 124.4
[M+HCOO]- 242.05582 151.8
[M+CH3COO]- 256.07147 185.3
[M+Na-2H]- 218.03229 137.9
[M]+ 197.05707 127.8
[M]- 197.05817 127.8
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.