CID 131332722

(3-bromo-2-fluoro-4-iodophenyl)methanol

Structural Information

Molecular Formula
C7H5BrFIO
SMILES
C1=CC(=C(C(=C1CO)F)Br)I
InChI
InChI=1S/C7H5BrFIO/c8-6-5(10)2-1-4(3-11)7(6)9/h1-2,11H,3H2
InChIKey
LNCGOOVDOFUOQG-UHFFFAOYSA-N
Compound name
(3-bromo-2-fluoro-4-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.85526 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.86254 145.4
[M+Na]+ 352.84448 151.6
[M-H]- 328.84798 143.2
[M+NH4]+ 347.88908 162.4
[M+K]+ 368.81842 146.0
[M+H-H2O]+ 312.85252 141.7
[M+HCOO]- 374.85346 160.7
[M+CH3COO]- 388.86911 192.2
[M+Na-2H]- 350.82993 140.4
[M]+ 329.85471 159.3
[M]- 329.85581 159.3
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.