CID 153649332

(2,3,5,6-tetrafluoro-4-iodophenyl)methanol

Structural Information

Molecular Formula
C7H3F4IO
SMILES
C(C1=C(C(=C(C(=C1F)F)I)F)F)O
InChI
InChI=1S/C7H3F4IO/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
CUVCVGCVKZUJSP-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluoro-4-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.91647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92375 136.6
[M+Na]+ 328.90569 141.7
[M-H]- 304.90919 128.6
[M+NH4]+ 323.95029 151.4
[M+K]+ 344.87963 143.9
[M+H-H2O]+ 288.91373 125.4
[M+HCOO]- 350.91467 151.2
[M+CH3COO]- 364.93032 192.9
[M+Na-2H]- 326.89114 127.7
[M]+ 305.91592 130.4
[M]- 305.91702 130.4
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

No patent data available for this compound.