CID 68326221

4-chloro-2-cyclopropylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.0342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 127.3
[M+Na]+ 191.02342 138.5
[M-H]- 167.02692 134.0
[M+NH4]+ 186.06802 143.6
[M+K]+ 206.99736 133.8
[M+H-H2O]+ 151.03146 122.3
[M+HCOO]- 213.03240 146.7
[M+CH3COO]- 227.04805 178.9
[M+Na-2H]- 189.00887 134.0
[M]+ 168.03365 130.5
[M]- 168.03475 130.5
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