CID 15467379

(3-bromo-5-iodophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
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 143.5
[M+Na]+ 334.85392 148.9
[M-H]- 310.85742 142.3
[M+NH4]+ 329.89852 160.9
[M+K]+ 350.82786 143.7
[M+H-H2O]+ 294.86196 140.5
[M+HCOO]- 356.86290 159.7
[M+CH3COO]- 370.87855 188.8
[M+Na-2H]- 332.83937 139.6
[M]+ 311.86415 158.1
[M]- 311.86525 158.1
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