CID 170476

2,4-dichloro-5-isopropoxyaniline

Structural Information

Molecular Formula
C9H11Cl2NO
SMILES
CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
InChI
InChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-8(12)6(10)3-7(9)11/h3-5H,12H2,1-2H3
InChIKey
RWRWIICNMOKBIQ-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

219.02177 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02905 143.3
[M+Na]+ 242.01099 153.5
[M-H]- 218.01449 146.4
[M+NH4]+ 237.05559 163.2
[M+K]+ 257.98493 148.7
[M+H-H2O]+ 202.01903 139.7
[M+HCOO]- 264.01997 157.8
[M+CH3COO]- 278.03562 190.3
[M+Na-2H]- 239.99644 146.1
[M]+ 219.02122 146.4
[M]- 219.02232 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe