CID 8001

1,3-dibromopropane

Structural Information

Molecular Formula
C3H6Br2
SMILES
C(CBr)CBr
InChI
InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
InChIKey
VEFLKXRACNJHOV-UHFFFAOYSA-N
Compound name
1,3-dibromopropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

25936
Patents

199.88364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.89092 121.1
[M+Na]+ 222.87286 132.5
[M-H]- 198.87636 125.6
[M+NH4]+ 217.91746 143.5
[M+K]+ 238.84680 117.8
[M+H-H2O]+ 182.88090 129.9
[M+HCOO]- 244.88184 138.0
[M+CH3COO]- 258.89749 190.3
[M+Na-2H]- 220.85831 130.4
[M]+ 199.88309 154.8
[M]- 199.88419 154.8
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