CID 3745264

(3-(4-bromophenyl)-1-(4-chlorophenyl)-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C16H12BrClN2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2CO)C3=CC=C(C=C3)Cl)Br
InChI
InChI=1S/C16H12BrClN2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-9,21H,10H2
InChIKey
UUTCUUWWKDKBLZ-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.98215 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.98943 173.1
[M+Na]+ 384.97137 186.8
[M-H]- 360.97487 182.1
[M+NH4]+ 380.01597 189.3
[M+K]+ 400.94531 172.2
[M+H-H2O]+ 344.97941 171.5
[M+HCOO]- 406.98035 188.2
[M+CH3COO]- 420.99600 186.5
[M+Na-2H]- 382.95682 177.0
[M]+ 361.98160 193.9
[M]- 361.98270 193.9
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.