CID 107143

1,1,2-tribromobutane

Structural Information

Molecular Formula
C4H7Br3
SMILES
CCC(C(Br)Br)Br
InChI
InChI=1S/C4H7Br3/c1-2-3(5)4(6)7/h3-4H,2H2,1H3
InChIKey
WMGQSHQUFZATPG-UHFFFAOYSA-N
Compound name
1,1,2-tribromobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

291.80978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.81706 134.1
[M+Na]+ 314.79900 142.1
[M-H]- 290.80250 137.9
[M+NH4]+ 309.84360 150.4
[M+K]+ 330.77294 126.7
[M+H-H2O]+ 274.80704 148.8
[M+HCOO]- 336.80798 143.5
[M+CH3COO]- 350.82363 214.8
[M+Na-2H]- 312.78445 139.2
[M]+ 291.80923 173.9
[M]- 291.81033 173.9
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