CID 105501913

5-chloro-2-(oxane-3-carbonyl)aniline hydrochloride

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1CC(COC1)C(=O)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C12H14ClNO2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,14H2
InChIKey
VALKJXLEEVOACY-UHFFFAOYSA-N
Compound name
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 153.0
[M+Na]+ 262.06052 159.2
[M-H]- 238.06402 159.3
[M+NH4]+ 257.10512 169.3
[M+K]+ 278.03446 156.1
[M+H-H2O]+ 222.06856 146.7
[M+HCOO]- 284.06950 168.2
[M+CH3COO]- 298.08515 191.5
[M+Na-2H]- 260.04597 156.1
[M]+ 239.07075 150.5
[M]- 239.07185 150.5
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.