CID 11469436

100845-90-7

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC1(C=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,7H,5-6H2
InChIKey
HEGXENQCLACJQG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

180.0342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 133.0
[M+Na]+ 203.02342 144.3
[M-H]- 179.02692 140.9
[M+NH4]+ 198.06802 151.0
[M+K]+ 218.99736 140.6
[M+H-H2O]+ 163.03146 128.3
[M+HCOO]- 225.03240 153.4
[M+CH3COO]- 239.04805 182.0
[M+Na-2H]- 201.00887 141.1
[M]+ 180.03365 137.6
[M]- 180.03475 137.6
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