CID 11183326

2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane

Structural Information

Molecular Formula
C9H7ClF2O
SMILES
C1C(O1)(CCl)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C9H7ClF2O/c10-4-9(5-13-9)7-2-1-6(11)3-8(7)12/h1-3H,4-5H2
InChIKey
SPHILNHUYNCNSY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

204.01535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022626 130.7
[M+Na]+ 227.004568 142.9
[M-H]- 203.008074 136.9
[M+NH4]+ 222.049173 146.7
[M+K]+ 242.978508 140.4
[M+H-H2O]+ 187.012610 124.0
[M+HCOO]- 249.013551 148.1
[M+CH3COO]- 263.029201 186.1
[M+Na-2H]- 224.990016 138.7
[M]+ 204.01480142 134.5
[M]- 204.01589858 134.5
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