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]+ 191.006606 135.6
[M+Na]+ 212.988548 147.7
[M-H]- 188.992054 142.8
[M+NH4]+ 208.033153 154.2
[M+K]+ 228.962488 137.3
[M+H-H2O]+ 172.996590 135.4
[M+HCOO]- 234.997531 155.7
[M+CH3COO]- 249.013181 185.3
[M+Na-2H]- 210.973996 141.4
[M]+ 189.99878142 155.4
[M]- 189.99987858 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