CID 64974436

(benzyloxy)[(2-chlorophenyl)methyl]amine

Structural Information

Molecular Formula
C14H14ClNO
SMILES
C1=CC=C(C=C1)CONCC2=CC=CC=C2Cl
InChI
InChI=1S/C14H14ClNO/c15-14-9-5-4-8-13(14)10-16-17-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey
JRSAEGOTHOHXJT-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N-phenylmethoxymethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 153.6
[M+Na]+ 270.06561 161.1
[M-H]- 246.06911 159.9
[M+NH4]+ 265.11021 171.3
[M+K]+ 286.03955 155.7
[M+H-H2O]+ 230.07365 146.7
[M+HCOO]- 292.07459 174.7
[M+CH3COO]- 306.09024 193.8
[M+Na-2H]- 268.05106 160.8
[M]+ 247.07584 156.0
[M]- 247.07694 156.0
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.