CID 730986

34762-56-6

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C13H12ClNO/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2
InChIKey
ISKGMPXNIRIOQC-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

233.06075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.068026 149.6
[M+Na]+ 256.049968 158.6
[M-H]- 232.053474 156.0
[M+NH4]+ 251.094573 168.0
[M+K]+ 272.023908 153.1
[M+H-H2O]+ 216.058010 143.2
[M+HCOO]- 278.058951 170.4
[M+CH3COO]- 292.074601 191.3
[M+Na-2H]- 254.035416 155.6
[M]+ 233.06020142 151.1
[M]- 233.06129858 151.1
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