CID 50896549

1431968-01-2

Structural Information

Molecular Formula
C5H7F2N3
SMILES
CC1=C(C=NN1C(F)F)N
InChI
InChI=1S/C5H7F2N3/c1-3-4(8)2-9-10(3)5(6)7/h2,5H,8H2,1H3
InChIKey
KWEDSDOSHMXMQG-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-5-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

147.0608 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06808 125.0
[M+Na]+ 170.05002 134.9
[M-H]- 146.05352 123.7
[M+NH4]+ 165.09462 145.3
[M+K]+ 186.02396 133.2
[M+H-H2O]+ 130.05806 116.7
[M+HCOO]- 192.05900 146.3
[M+CH3COO]- 206.07465 177.4
[M+Na-2H]- 168.03547 128.5
[M]+ 147.06025 121.3
[M]- 147.06135 121.3
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