CID 220867

1-chloro-3-phenyl-2-propanol

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC=C(C=C1)CC(CCl)O
InChI
InChI=1S/C9H11ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey
VBZRCYGKCAOPJW-UHFFFAOYSA-N
Compound name
1-chloro-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

170.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.7
[M+Na]+ 193.03906 141.2
[M-H]- 169.04256 135.7
[M+NH4]+ 188.08366 154.2
[M+K]+ 209.01300 137.3
[M+H-H2O]+ 153.04710 129.3
[M+HCOO]- 215.04804 151.4
[M+CH3COO]- 229.06369 175.4
[M+Na-2H]- 191.02451 139.8
[M]+ 170.04929 134.5
[M]- 170.05039 134.5
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