CID 131103015

1864432-85-8

Structural Information

Molecular Formula
C8H11BrFN3
SMILES
CN1C(=C(C=N1)Br)CN2CC(C2)F
InChI
InChI=1S/C8H11BrFN3/c1-12-8(7(9)2-11-12)5-13-3-6(10)4-13/h2,6H,3-5H2,1H3
InChIKey
UEIJOJCHIWAPAC-UHFFFAOYSA-N
Compound name
4-bromo-5-[(3-fluoroazetidin-1-yl)methyl]-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01204 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01932 137.0
[M+Na]+ 270.00126 149.1
[M-H]- 246.00476 141.6
[M+NH4]+ 265.04586 150.6
[M+K]+ 285.97520 141.2
[M+H-H2O]+ 230.00930 130.7
[M+HCOO]- 292.01024 154.2
[M+CH3COO]- 306.02589 193.8
[M+Na-2H]- 267.98671 141.9
[M]+ 247.01149 162.3
[M]- 247.01259 162.3
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.