CID 64326493

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

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC(CO)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H11ClO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7,11H,6H2,1H3
InChIKey
RMWJEAVTPAPDOR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.057116 133.0
[M+Na]+ 193.039058 141.5
[M-H]- 169.042564 135.4
[M+NH4]+ 188.083663 153.9
[M+K]+ 209.012998 137.6
[M+H-H2O]+ 153.047100 128.9
[M+HCOO]- 215.048041 150.8
[M+CH3COO]- 229.063691 176.5
[M+Na-2H]- 191.024506 138.4
[M]+ 170.04929142 134.2
[M]- 170.05038858 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

No literature data available for this compound.

Patent stripe

patents stripe