CID 3864674

618441-85-3

Structural Information

Molecular Formula
C17H13Cl2FN2O
SMILES
CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3Cl)Cl)F)CO
InChI
InChI=1S/C17H13Cl2FN2O/c1-10-4-2-3-5-16(10)22-8-11(9-23)17(21-22)12-6-15(20)14(19)7-13(12)18/h2-8,23H,9H2,1H3
InChIKey
MFYDULIIQBWCNI-UHFFFAOYSA-N
Compound name
[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0389 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04618 176.7
[M+Na]+ 373.02812 189.3
[M-H]- 349.03162 181.6
[M+NH4]+ 368.07272 190.2
[M+K]+ 389.00206 180.5
[M+H-H2O]+ 333.03616 167.5
[M+HCOO]- 395.03710 187.2
[M+CH3COO]- 409.05275 187.7
[M+Na-2H]- 371.01357 176.0
[M]+ 350.03835 180.3
[M]- 350.03945 180.3
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.