CID 66783212

2-chloro-4-iodo-1-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H3ClF3I
SMILES
C1=CC(=C(C=C1I)Cl)C(F)(F)F
InChI
InChI=1S/C7H3ClF3I/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H
InChIKey
OBRXTVDFVJAUAH-UHFFFAOYSA-N
Compound name
2-chloro-4-iodo-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

305.892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89928 145.6
[M+Na]+ 328.88122 150.0
[M+NH4]+ 323.92582 148.8
[M+K]+ 344.85516 146.8
[M-H]- 304.88472 138.2
[M+Na-2H]- 326.86667 139.9
[M]+ 305.89145 143.4
[M]- 305.89255 143.4
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