CID 10857676

134818-68-1

Structural Information

Molecular Formula
C12H12Cl2O
SMILES
C1CC1(C2(CO2)CC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2
InChIKey
IKKKLHQSHUAIMM-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
Patents

242.02652 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03380 149.5
[M+Na]+ 265.01574 157.7
[M-H]- 241.01924 158.6
[M+NH4]+ 260.06034 158.9
[M+K]+ 280.98968 158.5
[M+H-H2O]+ 225.02378 145.4
[M+HCOO]- 287.02472 160.3
[M+CH3COO]- 301.04037 160.0
[M+Na-2H]- 263.00119 155.2
[M]+ 242.02597 156.5
[M]- 242.02707 156.5
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

patents stripe