CID 83410160

2-(chloromethyl)-1,3-difluoro-4-methoxybenzene

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
COC1=C(C(=C(C=C1)F)CCl)F
InChI
InChI=1S/C8H7ClF2O/c1-12-7-3-2-6(10)5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKey
KQMSIURJCCAQDL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3-difluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

192.01535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02263 134.5
[M+Na]+ 215.00457 147.6
[M+NH4]+ 210.04917 142.6
[M+K]+ 230.97851 140.5
[M-H]- 191.00807 134.3
[M+Na-2H]- 212.99002 140.8
[M]+ 192.01480 136.5
[M]- 192.01590 136.5
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