CID 2777293

1-iodo-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4F3IO
SMILES
C1=CC(=CC(=C1)I)OC(F)(F)F
InChI
InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
InChIKey
UQZXQSQWKJZHCD-UHFFFAOYSA-N
Compound name
1-iodo-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

533
Patents

287.9259 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.93318 138.5
[M+Na]+ 310.91512 140.9
[M-H]- 286.91862 131.9
[M+NH4]+ 305.95972 153.7
[M+K]+ 326.88906 144.7
[M+H-H2O]+ 270.92316 127.4
[M+HCOO]- 332.92410 154.0
[M+CH3COO]- 346.93975 187.9
[M+Na-2H]- 308.90057 133.4
[M]+ 287.92535 133.1
[M]- 287.92645 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe