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

179
Patents

180.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 133.1
[M+Na]+ 203.023418 143.2
[M-H]- 179.026924 140.7
[M+NH4]+ 198.068023 150.7
[M+K]+ 218.997358 140.0
[M+H-H2O]+ 163.031460 128.3
[M+HCOO]- 225.032401 152.6
[M+CH3COO]- 239.048051 181.7
[M+Na-2H]- 201.008866 140.7
[M]+ 180.03365142 136.8
[M]- 180.03474858 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