CID 165940493

5-cyclopropyl-1,3-difluoro-2-iodobenzene

Structural Information

Molecular Formula
C9H7F2I
SMILES
C1CC1C2=CC(=C(C(=C2)F)I)F
InChI
InChI=1S/C9H7F2I/c10-7-3-6(5-1-2-5)4-8(11)9(7)12/h3-5H,1-2H2
InChIKey
QCHSHFKOWIYVTQ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3-difluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.95605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.96333 131.4
[M+Na]+ 302.94527 136.0
[M-H]- 278.94877 130.3
[M+NH4]+ 297.98987 142.9
[M+K]+ 318.91921 138.0
[M+H-H2O]+ 262.95331 120.3
[M+HCOO]- 324.95425 149.3
[M+CH3COO]- 338.96990 193.0
[M+Na-2H]- 300.93072 125.7
[M]+ 279.95550 129.0
[M]- 279.95660 129.0
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.