CID 730770

4-[(2-chlorophenyl)methoxy]aniline hydrochloride

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8H,9,15H2
InChIKey
JBTSPGBABBKQJZ-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

233.06075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.7
[M+Na]+ 256.04997 165.5
[M+NH4]+ 251.09457 159.6
[M+K]+ 272.02391 156.5
[M-H]- 232.05347 155.6
[M+Na-2H]- 254.03542 160.1
[M]+ 233.06020 154.1
[M]- 233.06130 154.1
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