CID 59309611

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.01535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022626 131.0
[M+Na]+ 215.004568 142.5
[M-H]- 191.008074 132.8
[M+NH4]+ 210.049173 152.2
[M+K]+ 230.978508 138.6
[M+H-H2O]+ 175.012610 125.1
[M+HCOO]- 237.013551 149.5
[M+CH3COO]- 251.029201 183.1
[M+Na-2H]- 212.990016 136.2
[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