CID 92132783

2-fluoro-1-iodo-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3F4IO
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)I
InChI
InChI=1S/C7H3F4IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H
InChIKey
MAFILVJNIQSQSP-UHFFFAOYSA-N
Compound name
2-fluoro-1-iodo-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

305.91647 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92375 139.5
[M+Na]+ 328.90569 142.9
[M-H]- 304.90919 132.0
[M+NH4]+ 323.95029 154.3
[M+K]+ 344.87963 146.3
[M+H-H2O]+ 288.91373 127.8
[M+HCOO]- 350.91467 154.0
[M+CH3COO]- 364.93032 191.7
[M+Na-2H]- 326.89114 133.4
[M]+ 305.91592 133.3
[M]- 305.91702 133.3
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