CID 67295555

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

Structural Information

Molecular Formula
C4H4F3N3
SMILES
C1=CN(N=C1N)C(F)(F)F
InChI
InChI=1S/C4H4F3N3/c5-4(6,7)10-2-1-3(8)9-10/h1-2H,(H2,8,9)
InChIKey
WLAVTCUAYOCGCM-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

151.03574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04302 123.1
[M+Na]+ 174.02496 133.2
[M-H]- 150.02846 120.5
[M+NH4]+ 169.06956 143.1
[M+K]+ 189.99890 131.4
[M+H-H2O]+ 134.03300 114.3
[M+HCOO]- 196.03394 143.1
[M+CH3COO]- 210.04959 174.9
[M+Na-2H]- 172.01041 129.2
[M]+ 151.03519 117.4
[M]- 151.03629 117.4
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