CID 85756

1,1,2-tribromopropane

Structural Information

Molecular Formula
C3H5Br3
SMILES
CC(C(Br)Br)Br
InChI
InChI=1S/C3H5Br3/c1-2(4)3(5)6/h2-3H,1H3
InChIKey
ZLOLQHBVMYXNHX-UHFFFAOYSA-N
Compound name
1,1,2-tribromopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

277.79413 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.80141 130.7
[M+Na]+ 300.78335 139.0
[M-H]- 276.78685 134.7
[M+NH4]+ 295.82795 147.4
[M+K]+ 316.75729 123.8
[M+H-H2O]+ 260.79139 145.6
[M+HCOO]- 322.79233 140.4
[M+CH3COO]- 336.80798 213.2
[M+Na-2H]- 298.76880 136.2
[M]+ 277.79358 170.3
[M]- 277.79468 170.3
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