CID 83410162

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.0
[M+Na]+ 215.00457 142.5
[M-H]- 191.00807 132.8
[M+NH4]+ 210.04917 152.2
[M+K]+ 230.97851 138.6
[M+H-H2O]+ 175.01261 125.1
[M+HCOO]- 237.01355 149.5
[M+CH3COO]- 251.02920 183.1
[M+Na-2H]- 212.99002 136.2
[M]+ 192.01480 132.8
[M]- 192.01590 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

No patent data available for this compound.