CID 10920958

(1r)-1-(3-chlorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC[C@H](C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3/t9-/m1/s1
InChIKey
APYGJPRINQKIQF-SECBINFHSA-N
Compound name
(1R)-1-(3-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

170.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.0
[M+Na]+ 193.03906 141.5
[M-H]- 169.04256 135.4
[M+NH4]+ 188.08366 153.9
[M+K]+ 209.01300 137.6
[M+H-H2O]+ 153.04710 128.9
[M+HCOO]- 215.04804 150.8
[M+CH3COO]- 229.06369 176.5
[M+Na-2H]- 191.02451 138.4
[M]+ 170.04929 134.2
[M]- 170.05039 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe