CID 3007704

107680-21-7

Structural Information

Molecular Formula
C19H18ClFN2O2
SMILES
C[C@@](C1=CC=C(C=C1)Cl)([C@](CN2C=CN=C2)(C3=CC=C(C=C3)F)O)O
InChI
InChI=1S/C19H18ClFN2O2/c1-18(24,14-2-6-16(20)7-3-14)19(25,12-23-11-10-22-13-23)15-4-8-17(21)9-5-15/h2-11,13,24-25H,12H2,1H3/t18-,19+/m1/s1
InChIKey
OPWPGDKELFUGTL-MOPGFXCFSA-N
Compound name
(2R,3R)-3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-imidazol-1-ylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1041 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11138 183.3
[M+Na]+ 383.09332 191.1
[M-H]- 359.09682 186.8
[M+NH4]+ 378.13792 194.2
[M+K]+ 399.06726 183.8
[M+H-H2O]+ 343.10136 173.9
[M+HCOO]- 405.10230 193.8
[M+CH3COO]- 419.11795 206.6
[M+Na-2H]- 381.07877 186.9
[M]+ 360.10355 183.3
[M]- 360.10465 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.