CID 130526565

2-(benzyloxy)-4-chloro-3-methylaniline hydrochloride

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC1=C(C=CC(=C1OCC2=CC=CC=C2)N)Cl
InChI
InChI=1S/C14H14ClNO/c1-10-12(15)7-8-13(16)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKey
FNOXCVAJUMPNTC-UHFFFAOYSA-N
Compound name
4-chloro-3-methyl-2-phenylmethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.083666 154.3
[M+Na]+ 270.065608 163.7
[M-H]- 246.069114 160.9
[M+NH4]+ 265.110213 172.4
[M+K]+ 286.039548 158.1
[M+H-H2O]+ 230.073650 147.9
[M+HCOO]- 292.074591 174.7
[M+CH3COO]- 306.090241 195.4
[M+Na-2H]- 268.051056 159.0
[M]+ 247.07584142 156.5
[M]- 247.07693858 156.5
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.