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

20
Patents

168.0342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.041476 127.3
[M+Na]+ 191.023418 138.5
[M-H]- 167.026924 134.0
[M+NH4]+ 186.068023 143.6
[M+K]+ 206.997358 133.8
[M+H-H2O]+ 151.031460 122.3
[M+HCOO]- 213.032401 146.7
[M+CH3COO]- 227.048051 178.9
[M+Na-2H]- 189.008866 134.0
[M]+ 168.03365142 130.5
[M]- 168.03474858 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