CID 3578575

618441-83-1

Structural Information

Molecular Formula
C17H15BrN2O
SMILES
CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=C(C=C3)Br)CO
InChI
InChI=1S/C17H15BrN2O/c1-12-4-2-3-5-16(12)20-10-14(11-21)17(19-20)13-6-8-15(18)9-7-13/h2-10,21H,11H2,1H3
InChIKey
QMVKLYJALOCVCS-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03677 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.044046 172.3
[M+Na]+ 365.025988 184.6
[M-H]- 341.029494 181.4
[M+NH4]+ 360.070593 188.3
[M+K]+ 380.999928 171.4
[M+H-H2O]+ 325.034030 170.3
[M+HCOO]- 387.034971 191.5
[M+CH3COO]- 401.050621 185.6
[M+Na-2H]- 363.011436 176.0
[M]+ 342.03622142 191.4
[M]- 342.03731858 191.4
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.