CID 2773508

Benzene, 1-chloro-2,4-difluoro-3-methoxy-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

177.9997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00698 126.1
[M+Na]+ 200.98892 138.1
[M-H]- 176.99242 128.1
[M+NH4]+ 196.03352 147.9
[M+K]+ 216.96286 134.5
[M+H-H2O]+ 160.99696 120.5
[M+HCOO]- 222.99790 145.0
[M+CH3COO]- 237.01355 180.1
[M+Na-2H]- 198.97437 132.0
[M]+ 177.99915 127.6
[M]- 178.00025 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

patents stripe