CID 63220505

4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C12H15ClFNO
SMILES
C1COCCC1(CC2=C(C=C(C=C2)F)Cl)N
InChI
InChI=1S/C12H15ClFNO/c13-11-7-10(14)2-1-9(11)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKey
QQNLFOVUJIUTPR-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.08263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08991 152.7
[M+Na]+ 266.07185 160.0
[M-H]- 242.07535 157.8
[M+NH4]+ 261.11645 171.1
[M+K]+ 282.04579 156.2
[M+H-H2O]+ 226.07989 146.1
[M+HCOO]- 288.08083 167.5
[M+CH3COO]- 302.09648 191.5
[M+Na-2H]- 264.05730 157.5
[M]+ 243.08208 149.3
[M]- 243.08318 149.3
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