CID 86132

Cyproconazole

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
InChIKey
UFNOUKDBUJZYDE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

110
References

47296
Patents

291.11383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.121106 168.5
[M+Na]+ 314.103048 177.3
[M-H]- 290.106554 173.0
[M+NH4]+ 309.147653 176.8
[M+K]+ 330.076988 170.7
[M+H-H2O]+ 274.111090 159.5
[M+HCOO]- 336.112031 181.6
[M+CH3COO]- 350.127681 199.7
[M+Na-2H]- 312.088496 171.2
[M]+ 291.11328142 171.6
[M]- 291.11437858 171.6
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

patents stripe