CID 91658984

1261438-69-0

Structural Information

Molecular Formula
C7H6BrIO
SMILES
C1=CC(=C(C=C1Br)I)CO
InChI
InChI=1S/C7H6BrIO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
PHCDQWNJXJCVFN-UHFFFAOYSA-N
Compound name
(4-bromo-2-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.8647 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87198 142.4
[M+Na]+ 334.85392 140.4
[M+NH4]+ 329.89852 144.2
[M+K]+ 350.82786 142.5
[M-H]- 310.85742 137.8
[M+Na-2H]- 332.83937 135.6
[M]+ 311.86415 138.8
[M]- 311.86525 138.8
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