CID 62387669

3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11ClFNO
SMILES
C1=CC(=C(C=C1C(CCO)N)F)Cl
InChI
InChI=1S/C9H11ClFNO/c10-7-2-1-6(5-8(7)11)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKey
FEFLEQVGCBGMTC-UHFFFAOYSA-N
Compound name
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.05132 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05860 140.3
[M+Na]+ 226.04054 148.9
[M-H]- 202.04404 141.0
[M+NH4]+ 221.08514 159.4
[M+K]+ 242.01448 144.1
[M+H-H2O]+ 186.04858 135.0
[M+HCOO]- 248.04952 157.4
[M+CH3COO]- 262.06517 184.6
[M+Na-2H]- 224.02599 143.5
[M]+ 203.05077 139.0
[M]- 203.05187 139.0
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