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

4
Patents

311.8647 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.871976 143.5
[M+Na]+ 334.853918 148.9
[M-H]- 310.857424 142.3
[M+NH4]+ 329.898523 160.9
[M+K]+ 350.827858 143.7
[M+H-H2O]+ 294.861960 140.5
[M+HCOO]- 356.862901 159.7
[M+CH3COO]- 370.878551 188.8
[M+Na-2H]- 332.839366 139.6
[M]+ 311.86415142 158.1
[M]- 311.86524858 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