CID 15062457

(3-iodophenyl)(phenyl)methanol

Structural Information

Molecular Formula
C13H11IO
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)I)O
InChI
InChI=1S/C13H11IO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
InChIKey
LELRVRPZEDZSFJ-UHFFFAOYSA-N
Compound name
(3-iodophenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.98547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99275 153.9
[M+Na]+ 332.97469 153.7
[M-H]- 308.97819 151.8
[M+NH4]+ 328.01929 166.9
[M+K]+ 348.94863 155.8
[M+H-H2O]+ 292.98273 143.4
[M+HCOO]- 354.98367 170.8
[M+CH3COO]- 368.99932 191.7
[M+Na-2H]- 330.96014 147.5
[M]+ 309.98492 149.3
[M]- 309.98602 149.3
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.