CID 2760372

63201-02-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

180.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 133.1
[M+Na]+ 203.02342 143.2
[M-H]- 179.02692 140.7
[M+NH4]+ 198.06802 150.7
[M+K]+ 218.99736 140.0
[M+H-H2O]+ 163.03146 128.3
[M+HCOO]- 225.03240 152.6
[M+CH3COO]- 239.04805 181.7
[M+Na-2H]- 201.00887 140.7
[M]+ 180.03365 136.8
[M]- 180.03475 136.8
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