CID 3007689

107680-07-9

Structural Information

Molecular Formula
C19H19ClFN3O2
SMILES
CC[C@](C1=CC=C(C=C1)F)([C@](CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O)O
InChI
InChI=1S/C19H19ClFN3O2/c1-2-18(25,14-5-9-17(21)10-6-14)19(26,11-24-13-22-12-23-24)15-3-7-16(20)8-4-15/h3-10,12-13,25-26H,2,11H2,1H3/t18-,19-/m0/s1
InChIKey
PDFMFDPALQMUDC-OALUTQOASA-N
Compound name
(2R,3S)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.115 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12228 187.4
[M+Na]+ 398.10422 195.0
[M-H]- 374.10772 189.5
[M+NH4]+ 393.14882 196.2
[M+K]+ 414.07816 187.6
[M+H-H2O]+ 358.11226 176.9
[M+HCOO]- 420.11320 196.3
[M+CH3COO]- 434.12885 209.4
[M+Na-2H]- 396.08967 191.0
[M]+ 375.11445 187.7
[M]- 375.11555 187.7
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.