CID 94684

80443-63-6

Structural Information

Molecular Formula
C14H19ClO
SMILES
CC(C)(C)C1(CO1)CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClO/c1-13(2,3)14(10-16-14)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3
InChIKey
QLCGXXYDHCTVKP-UHFFFAOYSA-N
Compound name
2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

149
Patents

238.11244 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11972 150.3
[M+Na]+ 261.10166 160.1
[M-H]- 237.10516 158.4
[M+NH4]+ 256.14626 165.1
[M+K]+ 277.07560 157.8
[M+H-H2O]+ 221.10970 145.2
[M+HCOO]- 283.11064 166.7
[M+CH3COO]- 297.12629 193.9
[M+Na-2H]- 259.08711 158.0
[M]+ 238.11189 157.1
[M]- 238.11299 157.1
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