CID 125449247

4-[4-bromo-3-(trifluoromethyl)-1h-pyrazol-1-yl]aniline

Structural Information

Molecular Formula
C10H7BrF3N3
SMILES
C1=CC(=CC=C1N)N2C=C(C(=N2)C(F)(F)F)Br
InChI
InChI=1S/C10H7BrF3N3/c11-8-5-17(16-9(8)10(12,13)14)7-3-1-6(15)2-4-7/h1-5H,15H2
InChIKey
WCNBVXPVFSDCKC-UHFFFAOYSA-N
Compound name
4-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.97754 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.98482 159.5
[M+Na]+ 327.96676 173.1
[M-H]- 303.97026 163.0
[M+NH4]+ 323.01136 177.2
[M+K]+ 343.94070 160.0
[M+H-H2O]+ 287.97480 155.7
[M+HCOO]- 349.97574 176.7
[M+CH3COO]- 363.99139 200.0
[M+Na-2H]- 325.95221 163.9
[M]+ 304.97699 173.3
[M]- 304.97809 173.3
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

No patent data available for this compound.