CID 43115341

2-chloro-1-n-(1-phenylethyl)benzene-1,4-diamine

Structural Information

Molecular Formula
C14H15ClN2
SMILES
CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)9-13(14)15/h2-10,17H,16H2,1H3
InChIKey
CLZDEJWNOZKAPN-UHFFFAOYSA-N
Compound name
2-chloro-1-N-(1-phenylethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 155.7
[M+Na]+ 269.08160 163.1
[M-H]- 245.08510 161.9
[M+NH4]+ 264.12620 173.1
[M+K]+ 285.05554 157.3
[M+H-H2O]+ 229.08964 149.0
[M+HCOO]- 291.09058 175.9
[M+CH3COO]- 305.10623 198.1
[M+Na-2H]- 267.06705 160.2
[M]+ 246.09183 154.9
[M]- 246.09293 154.9
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.