CID 116228012

3-(4-fluorophenyl)-4-(propan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H14FN3
SMILES
CC(C)C1=C(NN=C1N)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FN3/c1-7(2)10-11(15-16-12(10)14)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H3,14,15,16)
InChIKey
BWEZMJKNWRFGCS-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-4-propan-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11717 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.124446 148.5
[M+Na]+ 242.106388 157.3
[M-H]- 218.109894 150.3
[M+NH4]+ 237.150993 165.2
[M+K]+ 258.080328 152.4
[M+H-H2O]+ 202.114430 139.8
[M+HCOO]- 264.115371 168.6
[M+CH3COO]- 278.131021 189.9
[M+Na-2H]- 240.091836 150.1
[M]+ 219.11662142 144.7
[M]- 219.11771858 144.7
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.