CID 54594627

1-(1-chloropropyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C9H9ClF2
SMILES
CCC(C1=C(C=C(C=C1)F)F)Cl
InChI
InChI=1S/C9H9ClF2/c1-2-8(10)7-4-3-6(11)5-9(7)12/h3-5,8H,2H2,1H3
InChIKey
KYZLKOSUMHPUPF-UHFFFAOYSA-N
Compound name
1-(1-chloropropyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03609 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04337 133.1
[M+Na]+ 213.02531 143.1
[M-H]- 189.02881 134.4
[M+NH4]+ 208.06991 154.1
[M+K]+ 228.99925 138.8
[M+H-H2O]+ 173.03335 127.1
[M+HCOO]- 235.03429 150.0
[M+CH3COO]- 249.04994 183.9
[M+Na-2H]- 211.01076 137.3
[M]+ 190.03554 132.9
[M]- 190.03664 132.9
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.