CID 6553

1,2-dibromopropane

Structural Information

Molecular Formula
C3H6Br2
SMILES
CC(CBr)Br
InChI
InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
InChIKey
XFNJYAKDBJUJAJ-UHFFFAOYSA-N
Compound name
1,2-dibromopropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

6454
Patents

199.88364 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.89092 122.5
[M+Na]+ 222.87286 133.8
[M-H]- 198.87636 127.1
[M+NH4]+ 217.91746 144.9
[M+K]+ 238.84680 119.3
[M+H-H2O]+ 182.88090 131.3
[M+HCOO]- 244.88184 138.6
[M+CH3COO]- 258.89749 190.8
[M+Na-2H]- 220.85831 130.8
[M]+ 199.88309 155.7
[M]- 199.88419 155.7
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