CID 221970

3-(2-chlorophenyl)-propan-1-ol

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC=C(C(=C1)CCCO)Cl
InChI
InChI=1S/C9H11ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChIKey
RROVHEOLZYPASG-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

170.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.0
[M+Na]+ 193.03906 141.7
[M-H]- 169.04256 135.3
[M+NH4]+ 188.08366 153.9
[M+K]+ 209.01300 137.4
[M+H-H2O]+ 153.04710 128.7
[M+HCOO]- 215.04804 151.7
[M+CH3COO]- 229.06369 175.7
[M+Na-2H]- 191.02451 139.6
[M]+ 170.04929 134.8
[M]- 170.05039 134.8
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