CID 50990667

{1-[(4-bromophenyl)methyl]-1h-pyrazol-4-yl}methanol

Structural Information

Molecular Formula
C11H11BrN2O
SMILES
C1=CC(=CC=C1CN2C=C(C=N2)CO)Br
InChI
InChI=1S/C11H11BrN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7,15H,6,8H2
InChIKey
JPIBRLGJCCMNHR-UHFFFAOYSA-N
Compound name
[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01278 150.5
[M+Na]+ 288.99472 162.8
[M-H]- 264.99822 156.4
[M+NH4]+ 284.03932 169.5
[M+K]+ 304.96866 150.9
[M+H-H2O]+ 249.00276 149.4
[M+HCOO]- 311.00370 170.6
[M+CH3COO]- 325.01935 190.0
[M+Na-2H]- 286.98017 156.7
[M]+ 266.00495 169.4
[M]- 266.00605 169.4
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.