CID 55137513

4-bromo-1-[(2,3-difluorophenyl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H7BrF2N2
SMILES
C1=CC(=C(C(=C1)F)F)CN2C=C(C=N2)Br
InChI
InChI=1S/C10H7BrF2N2/c11-8-4-14-15(6-8)5-7-2-1-3-9(12)10(7)13/h1-4,6H,5H2
InChIKey
WPIGGXVZAHNDSX-UHFFFAOYSA-N
Compound name
4-bromo-1-[(2,3-difluorophenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.97607 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98335 149.5
[M+Na]+ 294.96529 163.7
[M-H]- 270.96879 154.6
[M+NH4]+ 290.00989 169.2
[M+K]+ 310.93923 151.5
[M+H-H2O]+ 254.97333 146.9
[M+HCOO]- 316.97427 169.1
[M+CH3COO]- 330.98992 164.3
[M+Na-2H]- 292.95074 154.7
[M]+ 271.97552 166.8
[M]- 271.97662 166.8
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.