CID 77430

Einecs 223-298-6

Structural Information

Molecular Formula
C13H12Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)N)CC2=C(C(=CC=C2)Cl)N
InChI
InChI=1S/C13H12Cl2N2/c14-10-5-1-3-8(12(10)16)7-9-4-2-6-11(15)13(9)17/h1-6H,7,16-17H2
InChIKey
QRNOKNRQGABGFX-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-chlorophenyl)methyl]-6-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

266.03775 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 158.9
[M+Na]+ 289.02697 169.2
[M-H]- 265.03047 164.5
[M+NH4]+ 284.07157 176.3
[M+K]+ 305.00091 161.6
[M+H-H2O]+ 249.03501 153.6
[M+HCOO]- 311.03595 174.6
[M+CH3COO]- 325.05160 171.1
[M+Na-2H]- 287.01242 161.7
[M]+ 266.03720 159.4
[M]- 266.03830 159.4
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