CID 23569312

4-(trifluoromethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C4H4F3N3
SMILES
C1=NNC(=C1C(F)(F)F)N
InChI
InChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKey
KBVOILKOLGWPBG-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

151.03574 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.043016 123.6
[M+Na]+ 174.024958 133.3
[M-H]- 150.028464 119.6
[M+NH4]+ 169.069563 142.9
[M+K]+ 189.998898 130.5
[M+H-H2O]+ 134.033000 115.1
[M+HCOO]- 196.033941 142.1
[M+CH3COO]- 210.049591 172.3
[M+Na-2H]- 172.010406 129.2
[M]+ 151.03519142 116.1
[M]- 151.03628858 116.1
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