CID 855074

Alpha-(4-iodoanilino)-ortho-cresol

Structural Information

Molecular Formula
C13H12INO
SMILES
C1=CC=C(C(=C1)CNC2=CC=C(C=C2)I)O
InChI
InChI=1S/C13H12INO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2
InChIKey
XULXYJODKHEBHB-UHFFFAOYSA-N
Compound name
2-[(4-iodoanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00365 160.2
[M+Na]+ 347.98559 160.3
[M-H]- 323.98909 158.3
[M+NH4]+ 343.03019 172.6
[M+K]+ 363.95953 161.8
[M+H-H2O]+ 307.99363 149.2
[M+HCOO]- 369.99457 178.9
[M+CH3COO]- 384.01022 196.5
[M+Na-2H]- 345.97104 154.3
[M]+ 324.99582 155.8
[M]- 324.99692 155.8
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

No patent data available for this compound.