CID 221971

3-(4-chlorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC(=CC=C1CCCO)Cl
InChI
InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey
ZHBIWFGGIKFSHZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

170.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.057116 133.0
[M+Na]+ 193.039058 141.7
[M-H]- 169.042564 135.3
[M+NH4]+ 188.083663 153.9
[M+K]+ 209.012998 137.4
[M+H-H2O]+ 153.047100 128.7
[M+HCOO]- 215.048041 151.7
[M+CH3COO]- 229.063691 175.7
[M+Na-2H]- 191.024506 139.6
[M]+ 170.04929142 134.8
[M]- 170.05038858 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