CID 13656

939-87-7

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1[C@H]([C@@H]1C(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKey
SODZBMGDYKEZJG-DTWKUNHWSA-N
Compound name
trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

444
Patents

180.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 131.7
[M+Na]+ 203.023418 142.0
[M-H]- 179.026924 139.3
[M+NH4]+ 198.068023 147.7
[M+K]+ 218.997358 137.8
[M+H-H2O]+ 163.031460 126.1
[M+HCOO]- 225.032401 151.5
[M+CH3COO]- 239.048051 183.2
[M+Na-2H]- 201.008866 137.7
[M]+ 180.03365142 135.4
[M]- 180.03474858 135.4
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