CID 130749051

3-bromo-1-[(3-methoxyphenyl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C11H11BrN2O
SMILES
COC1=CC=CC(=C1)CN2C=CC(=N2)Br
InChI
InChI=1S/C11H11BrN2O/c1-15-10-4-2-3-9(7-10)8-14-6-5-11(12)13-14/h2-7H,8H2,1H3
InChIKey
CTOZWFFGJFODSG-UHFFFAOYSA-N
Compound name
3-bromo-1-[(3-methoxyphenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01278 155.0
[M+Na]+ 288.99472 159.4
[M+NH4]+ 284.03932 159.6
[M+K]+ 304.96866 159.8
[M-H]- 264.99822 156.3
[M+Na-2H]- 286.98017 159.6
[M]+ 266.00495 154.8
[M]- 266.00605 154.8
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.