CID 62670218

1-(4-chlorophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1CC1(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C9H9ClO/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4,11H,5-6H2
InChIKey
IITYGCJPZRPVET-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.0342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 128.4
[M+Na]+ 191.02342 139.4
[M-H]- 167.02692 135.2
[M+NH4]+ 186.06802 146.3
[M+K]+ 206.99736 135.7
[M+H-H2O]+ 151.03146 124.2
[M+HCOO]- 213.03240 147.6
[M+CH3COO]- 227.04805 177.4
[M+Na-2H]- 189.00887 136.7
[M]+ 168.03365 131.7
[M]- 168.03475 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe