CID 106308

1-propanol, 3-[(2-amino-4,5-dichlorophenyl)amino]-

Structural Information

Molecular Formula
C9H12Cl2N2O
SMILES
C1=C(C(=CC(=C1Cl)Cl)NCCCO)N
InChI
InChI=1S/C9H12Cl2N2O/c10-6-4-8(12)9(5-7(6)11)13-2-1-3-14/h4-5,13-14H,1-3,12H2
InChIKey
NOEDYYVBOOXTSI-UHFFFAOYSA-N
Compound name
3-(2-amino-4,5-dichloroanilino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

234.03267 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03995 148.8
[M+Na]+ 257.02189 157.9
[M-H]- 233.02539 150.3
[M+NH4]+ 252.06649 167.1
[M+K]+ 272.99583 151.7
[M+H-H2O]+ 217.02993 145.0
[M+HCOO]- 279.03087 163.8
[M+CH3COO]- 293.04652 191.9
[M+Na-2H]- 255.00734 152.4
[M]+ 234.03212 149.9
[M]- 234.03322 149.9
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

patents stripe