CID 6500394

3-chloro-4-(propan-2-yloxy)aniline

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC(C)OC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C9H12ClNO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3
InChIKey
YXBDJALKYPUAFT-UHFFFAOYSA-N
Compound name
3-chloro-4-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

185.06075 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.7
[M+Na]+ 208.04997 146.7
[M-H]- 184.05347 141.3
[M+NH4]+ 203.09457 158.4
[M+K]+ 224.02391 143.3
[M+H-H2O]+ 168.05801 133.1
[M+HCOO]- 230.05895 157.4
[M+CH3COO]- 244.07460 184.4
[M+Na-2H]- 206.03542 142.0
[M]+ 185.06020 139.5
[M]- 185.06130 139.5
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