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

173
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 135.7
[M+Na]+ 328.88122 139.9
[M-H]- 304.88472 129.4
[M+NH4]+ 323.92582 151.5
[M+K]+ 344.85516 141.3
[M+H-H2O]+ 288.88926 125.9
[M+HCOO]- 350.89020 146.9
[M+CH3COO]- 364.90585 190.8
[M+Na-2H]- 326.86667 130.1
[M]+ 305.89145 131.4
[M]- 305.89255 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