CID 83155347

1-bromo-3-cyclopropylbutan-2-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC(C1CC1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c1-5(6-2-3-6)7(9)4-8/h5-6H,2-4H2,1H3
InChIKey
YXOBENYQWAVNBA-UHFFFAOYSA-N
Compound name
1-bromo-3-cyclopropylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.99933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 135.6
[M+Na]+ 212.98855 147.7
[M-H]- 188.99205 142.8
[M+NH4]+ 208.03315 154.2
[M+K]+ 228.96249 137.3
[M+H-H2O]+ 172.99659 135.4
[M+HCOO]- 234.99753 155.7
[M+CH3COO]- 249.01318 185.3
[M+Na-2H]- 210.97400 141.4
[M]+ 189.99878 155.4
[M]- 189.99988 155.4
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