CID 84819134

62127-48-4

Structural Information

Molecular Formula
C4H7Br3
SMILES
C(C(CBr)CBr)Br
InChI
InChI=1S/C4H7Br3/c5-1-4(2-6)3-7/h4H,1-3H2
InChIKey
ZXSNXWBSEPRPEN-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(bromomethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

291.80978 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.81706 132.0
[M+Na]+ 314.79900 140.3
[M-H]- 290.80250 135.9
[M+NH4]+ 309.84360 148.5
[M+K]+ 330.77294 124.7
[M+H-H2O]+ 274.80704 146.9
[M+HCOO]- 336.80798 142.1
[M+CH3COO]- 350.82363 214.4
[M+Na-2H]- 312.78445 138.1
[M]+ 291.80923 172.3
[M]- 291.81033 172.3
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