CID 124706419

1-chloro-2,4-difluoro-5-methoxybenzene

Structural Information

Molecular Formula
C7H5ClF2O
SMILES
COC1=CC(=C(C=C1F)F)Cl
InChI
InChI=1S/C7H5ClF2O/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3
InChIKey
FZDCQMDEJJMLAZ-UHFFFAOYSA-N
Compound name
1-chloro-2,4-difluoro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.9997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006976 126.1
[M+Na]+ 200.988918 138.1
[M-H]- 176.992424 128.1
[M+NH4]+ 196.033523 147.9
[M+K]+ 216.962858 134.5
[M+H-H2O]+ 160.996960 120.5
[M+HCOO]- 222.997901 145.0
[M+CH3COO]- 237.013551 180.1
[M+Na-2H]- 198.974366 132.0
[M]+ 177.99915142 127.6
[M]- 178.00024858 127.6
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.