CID 119361

120983-64-4

Structural Information

Molecular Formula
C14H15Cl2N3O
SMILES
C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
InChI
InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
InChIKey
HHUQPWODPBDTLI-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

17
References

425
Patents

311.0592 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06648 168.8
[M+Na]+ 334.04842 178.8
[M-H]- 310.05192 172.6
[M+NH4]+ 329.09302 178.6
[M+K]+ 350.02236 172.1
[M+H-H2O]+ 294.05646 160.4
[M+HCOO]- 356.05740 177.7
[M+CH3COO]- 370.07305 178.4
[M+Na-2H]- 332.03387 173.2
[M]+ 311.05865 173.0
[M]- 311.05975 173.0
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.