CID 14147108

(1-chlorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H9Cl
SMILES
C1CC1(C2=CC=CC=C2)Cl
InChI
InChI=1S/C9H9Cl/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
SUVKLPMDBMSOOM-UHFFFAOYSA-N
Compound name
(1-chlorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

152.03928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.046556 126.3
[M+Na]+ 175.028498 136.8
[M-H]- 151.032004 133.9
[M+NH4]+ 170.073103 145.2
[M+K]+ 191.002438 133.7
[M+H-H2O]+ 135.036540 121.5
[M+HCOO]- 197.037481 146.7
[M+CH3COO]- 211.053131 140.8
[M+Na-2H]- 173.013946 135.6
[M]+ 152.03873142 129.3
[M]- 152.03982858 129.3
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