CID 140766194

4-chloro-3-cyclopropylphenol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1CC1C2=C(C=CC(=C2)O)Cl
InChI
InChI=1S/C9H9ClO/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKey
NCRBYUMLSUJPCZ-UHFFFAOYSA-N
Compound name
4-chloro-3-cyclopropylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.0342 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 131.2
[M+Na]+ 191.02342 147.1
[M+NH4]+ 186.06802 141.7
[M+K]+ 206.99736 141.2
[M-H]- 167.02692 141.8
[M+Na-2H]- 189.00887 142.2
[M]+ 168.03365 138.0
[M]- 168.03475 138.0
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