CID 112468

2,2,3-tribromobutane

Structural Information

Molecular Formula
C4H7Br3
SMILES
CC(C(C)(Br)Br)Br
InChI
InChI=1S/C4H7Br3/c1-3(5)4(2,6)7/h3H,1-2H3
InChIKey
JDWNTZIECWWBAO-UHFFFAOYSA-N
Compound name
2,2,3-tribromobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

291.80978 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.81706 137.2
[M+Na]+ 314.79900 145.7
[M-H]- 290.80250 141.2
[M+NH4]+ 309.84360 153.7
[M+K]+ 330.77294 130.1
[M+H-H2O]+ 274.80704 152.2
[M+HCOO]- 336.80798 146.3
[M+CH3COO]- 350.82363 214.5
[M+Na-2H]- 312.78445 143.0
[M]+ 291.80923 177.1
[M]- 291.81033 177.1
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