CID 19616883

1006334-29-7

Structural Information

Molecular Formula
C13H12F3N3
SMILES
C1CC1C2=CC(=NN2C3=CC=C(C=C3)N)C(F)(F)F
InChI
InChI=1S/C13H12F3N3/c14-13(15,16)12-7-11(8-1-2-8)19(18-12)10-5-3-9(17)4-6-10/h3-8H,1-2,17H2
InChIKey
VMHCNGQCZDPGFN-UHFFFAOYSA-N
Compound name
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

267.09833 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10561 152.6
[M+Na]+ 290.08755 163.7
[M-H]- 266.09105 156.8
[M+NH4]+ 285.13215 163.3
[M+K]+ 306.06149 157.2
[M+H-H2O]+ 250.09559 142.1
[M+HCOO]- 312.09653 171.8
[M+CH3COO]- 326.11218 200.8
[M+Na-2H]- 288.07300 155.5
[M]+ 267.09778 150.0
[M]- 267.09888 150.0
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