CID 11572816

2-iodo-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4F3IO
SMILES
C1=CC(=C(C=C1C(F)(F)F)I)O
InChI
InChI=1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H
InChIKey
MRDCXUYQUSFQKF-UHFFFAOYSA-N
Compound name
2-iodo-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

287.9259 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.93318 138.8
[M+Na]+ 310.91512 141.7
[M-H]- 286.91862 131.2
[M+NH4]+ 305.95972 153.6
[M+K]+ 326.88906 144.6
[M+H-H2O]+ 270.92316 128.2
[M+HCOO]- 332.92410 152.8
[M+CH3COO]- 346.93975 186.5
[M+Na-2H]- 308.90057 132.6
[M]+ 287.92535 131.9
[M]- 287.92645 131.9
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