CID 3007712

107711-02-4

Structural Information

Molecular Formula
C18H17Cl2N3O2
SMILES
C[C@](C1=CC=C(C=C1)Cl)([C@](CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O)O
InChI
InChI=1S/C18H17Cl2N3O2/c1-17(24,13-2-6-15(19)7-3-13)18(25,10-23-12-21-11-22-23)14-4-8-16(20)9-5-14/h2-9,11-12,24-25H,10H2,1H3/t17-,18-/m0/s1
InChIKey
JMZJOQIVTXIKOJ-ROUUACIJSA-N
Compound name
(2R,3S)-2,3-bis(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.0698 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07708 186.3
[M+Na]+ 400.05902 194.5
[M-H]- 376.06252 189.2
[M+NH4]+ 395.10362 195.5
[M+K]+ 416.03296 186.8
[M+H-H2O]+ 360.06706 176.9
[M+HCOO]- 422.06800 191.4
[M+CH3COO]- 436.08365 208.0
[M+Na-2H]- 398.04447 190.0
[M]+ 377.06925 188.3
[M]- 377.07035 188.3
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.