CID 3451514

98591-11-8

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
COC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C14H14ClNO2/c1-18-13-5-3-12(4-6-13)16-9-10-8-11(15)2-7-14(10)17/h2-8,16-17H,9H2,1H3
InChIKey
FLNUSSGYUQISIQ-UHFFFAOYSA-N
Compound name
4-chloro-2-[(4-methoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 156.8
[M+Na]+ 286.06054 165.6
[M-H]- 262.06404 162.5
[M+NH4]+ 281.10514 173.7
[M+K]+ 302.03448 160.1
[M+H-H2O]+ 246.06858 150.4
[M+HCOO]- 308.06952 176.6
[M+CH3COO]- 322.08517 195.6
[M+Na-2H]- 284.04599 162.1
[M]+ 263.07077 159.6
[M]- 263.07187 159.6
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.