CID 543062

1-bromo-2-(chloromethyl)cyclopropane

Structural Information

Molecular Formula
C4H6BrCl
SMILES
C1C(C1Br)CCl
InChI
InChI=1S/C4H6BrCl/c5-4-1-3(4)2-6/h3-4H,1-2H2
InChIKey
ZWVGHLJSROOWQH-UHFFFAOYSA-N
Compound name
1-bromo-2-(chloromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.93414 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.94142 123.4
[M+Na]+ 190.92336 138.4
[M-H]- 166.92686 130.9
[M+NH4]+ 185.96796 144.0
[M+K]+ 206.89730 126.3
[M+H-H2O]+ 150.93140 124.5
[M+HCOO]- 212.93234 141.5
[M+CH3COO]- 226.94799 179.4
[M+Na-2H]- 188.90881 132.1
[M]+ 167.93359 144.3
[M]- 167.93469 144.3
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