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]+ 330.862536 145.4
[M+Na]+ 352.844478 151.6
[M-H]- 328.847984 143.2
[M+NH4]+ 347.889083 162.4
[M+K]+ 368.818418 146.0
[M+H-H2O]+ 312.852520 141.7
[M+HCOO]- 374.853461 160.7
[M+CH3COO]- 388.869111 192.2
[M+Na-2H]- 350.829926 140.4
[M]+ 329.85471142 159.3
[M]- 329.85580858 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.