CID 16244090

2-iodo-4-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H4F3IO2
SMILES
C1=CC(=C(C=C1C(F)(F)F)I)C(=O)O
InChI
InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,(H,13,14)
InChIKey
WCLYLTXCKMZNOH-UHFFFAOYSA-N
Compound name
2-iodo-4-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

315.9208 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.92808 156.8
[M+Na]+ 338.91002 158.8
[M+NH4]+ 333.95462 157.9
[M+K]+ 354.88396 157.3
[M-H]- 314.91352 147.5
[M+Na-2H]- 336.89547 148.4
[M]+ 315.92025 153.2
[M]- 315.92135 153.2
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