CID 15525950

(4-iodophenyl)(phenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.98547 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe