CID 4175113

3,5-bis(chloromethyl)-1-(oxan-2-yl)pyrazole

Structural Information

Molecular Formula
C10H14Cl2N2O
SMILES
C1CCOC(C1)N2C(=CC(=N2)CCl)CCl
InChI
InChI=1S/C10H14Cl2N2O/c11-6-8-5-9(7-12)14(13-8)10-3-1-2-4-15-10/h5,10H,1-4,6-7H2
InChIKey
VBGWHOMQIHLKKL-UHFFFAOYSA-N
Compound name
3,5-bis(chloromethyl)-1-(oxan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04832 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05560 154.4
[M+Na]+ 271.03754 162.3
[M-H]- 247.04104 157.3
[M+NH4]+ 266.08214 170.4
[M+K]+ 287.01148 158.3
[M+H-H2O]+ 231.04558 146.8
[M+HCOO]- 293.04652 162.9
[M+CH3COO]- 307.06217 165.5
[M+Na-2H]- 269.02299 156.4
[M]+ 248.04777 154.8
[M]- 248.04887 154.8
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.