CID 131269350

1-(chloromethyl)-4,5-difluoro-2-iodobenzene

Structural Information

Molecular Formula
C7H4ClF2I
SMILES
C1=C(C(=CC(=C1F)F)I)CCl
InChI
InChI=1S/C7H4ClF2I/c8-3-4-1-5(9)6(10)2-7(4)11/h1-2H,3H2
InChIKey
XGDOIYGTKCXGOP-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4,5-difluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.90143 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.90871 131.9
[M+Na]+ 310.89065 136.3
[M-H]- 286.89415 126.7
[M+NH4]+ 305.93525 148.5
[M+K]+ 326.86459 137.8
[M+H-H2O]+ 270.89869 122.7
[M+HCOO]- 332.89963 145.5
[M+CH3COO]- 346.91528 189.5
[M+Na-2H]- 308.87610 125.7
[M]+ 287.90088 129.5
[M]- 287.90198 129.5
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.