CID 137838604

464914-67-8

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC1[C@@H]2C[C@H]2CCBr
InChI
InChI=1S/C8H13Br/c9-4-3-7-5-8(7)6-1-2-6/h6-8H,1-5H2/t7-,8+/m1/s1
InChIKey
RBLRGZIBVFJYMW-SFYZADRCSA-N
Compound name
trans-(1S,2S)-1-(2-bromoethyl)-2-cyclopropylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 144.3
[M+Na]+ 211.009288 155.6
[M-H]- 187.012794 153.7
[M+NH4]+ 206.053893 156.7
[M+K]+ 226.983228 146.5
[M+H-H2O]+ 171.017330 143.4
[M+HCOO]- 233.018271 163.1
[M+CH3COO]- 247.033921 194.6
[M+Na-2H]- 208.994736 149.4
[M]+ 188.01952142 162.7
[M]- 188.02061858 162.7
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

No patent data available for this compound.