CID 2724524

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

Structural Information

Molecular Formula
C7H3ClF3I
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)I
InChI
InChI=1S/C7H3ClF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChIKey
DRMQJFVDZWIKTE-UHFFFAOYSA-N
Compound name
4-chloro-1-iodo-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

305.892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.899276 135.7
[M+Na]+ 328.881218 139.9
[M-H]- 304.884724 129.4
[M+NH4]+ 323.925823 151.5
[M+K]+ 344.855158 141.3
[M+H-H2O]+ 288.889260 125.9
[M+HCOO]- 350.890201 146.9
[M+CH3COO]- 364.905851 190.8
[M+Na-2H]- 326.866666 130.1
[M]+ 305.89145142 131.4
[M]- 305.89254858 131.4
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