CID 23316990

1-(chloromethyl)-3-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
C1=CC(=CC(=C1)OC(F)F)CCl
InChI
InChI=1S/C8H7ClF2O/c9-5-6-2-1-3-7(4-6)12-8(10)11/h1-4,8H,5H2
InChIKey
WAKSXWPMSVDHDL-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

192.01535 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022626 132.2
[M+Na]+ 215.004568 141.6
[M-H]- 191.008074 133.4
[M+NH4]+ 210.049173 152.8
[M+K]+ 230.978508 138.1
[M+H-H2O]+ 175.012610 125.9
[M+HCOO]- 237.013551 149.8
[M+CH3COO]- 251.029201 181.7
[M+Na-2H]- 212.990016 137.6
[M]+ 192.01480142 132.8
[M]- 192.01589858 132.8
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

patents stripe