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 149.7
[M+Na]+ 288.99472 162.4
[M-H]- 264.99822 156.9
[M+NH4]+ 284.03932 169.4
[M+K]+ 304.96866 151.5
[M+H-H2O]+ 249.00276 148.4
[M+HCOO]- 311.00370 171.2
[M+CH3COO]- 325.01935 192.4
[M+Na-2H]- 286.98017 156.4
[M]+ 266.00495 170.4
[M]- 266.00605 170.4
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.