CID 119028476

3-chloro-5-(propan-2-yloxy)aniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06075 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 137.7
[M+Na]+ 208.049968 146.7
[M-H]- 184.053474 141.3
[M+NH4]+ 203.094573 158.4
[M+K]+ 224.023908 143.3
[M+H-H2O]+ 168.058010 133.1
[M+HCOO]- 230.058951 157.4
[M+CH3COO]- 244.074601 184.4
[M+Na-2H]- 206.035416 142.0
[M]+ 185.06020142 139.5
[M]- 185.06129858 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

No patent data available for this compound.