CID 149745032

2484774-18-5

Structural Information

Molecular Formula
C5H6F3N3
SMILES
CN1C(=C(C(=N1)C(F)F)F)N
InChI
InChI=1S/C5H6F3N3/c1-11-5(9)2(6)3(10-11)4(7)8/h4H,9H2,1H3
InChIKey
BBZQPVKQGDHMSE-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4-fluoro-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.05138 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 127.1
[M+Na]+ 188.040598 137.9
[M-H]- 164.044104 124.8
[M+NH4]+ 183.085203 146.9
[M+K]+ 204.014538 135.8
[M+H-H2O]+ 148.048640 118.1
[M+HCOO]- 210.049581 147.3
[M+CH3COO]- 224.065231 181.4
[M+Na-2H]- 186.026046 129.3
[M]+ 165.05083142 122.6
[M]- 165.05192858 122.6
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