CID 593110

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

170.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.057116 133.1
[M+Na]+ 193.039058 142.3
[M-H]- 169.042564 135.8
[M+NH4]+ 188.083663 154.2
[M+K]+ 209.012998 138.4
[M+H-H2O]+ 153.047100 129.4
[M+HCOO]- 215.048041 150.3
[M+CH3COO]- 229.063691 176.0
[M+Na-2H]- 191.024506 140.4
[M]+ 170.04929142 134.4
[M]- 170.05038858 134.4
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