CID 83774

1-(4-chlorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11ClO
SMILES
CCC(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3
InChIKey
TXAWBKBMGZKBNN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

127
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 146.9
[M+NH4]+ 188.08366 142.5
[M+K]+ 209.01300 139.8
[M-H]- 169.04256 135.3
[M+Na-2H]- 191.02451 140.4
[M]+ 170.04929 136.0
[M]- 170.05039 136.0
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