CID 15685872

(3-chlorophenyl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H12ClN
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C13H12ClN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2
InChIKey
LAYKXXDKBWCIFM-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

217.06583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.073106 146.6
[M+Na]+ 240.055048 154.4
[M-H]- 216.058554 152.7
[M+NH4]+ 235.099653 165.3
[M+K]+ 256.028988 148.8
[M+H-H2O]+ 200.063090 140.4
[M+HCOO]- 262.064031 166.2
[M+CH3COO]- 276.079681 159.4
[M+Na-2H]- 238.040496 152.2
[M]+ 217.06528142 145.7
[M]- 217.06637858 145.7
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