CID 11658

2,2-dibromopropane

Structural Information

Molecular Formula
C3H6Br2
SMILES
CC(C)(Br)Br
InChI
InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
InChIKey
ARITXYXYCOZKMU-UHFFFAOYSA-N
Compound name
2,2-dibromopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

606
Patents

199.88364 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.89092 124.1
[M+Na]+ 222.87286 136.0
[M-H]- 198.87636 128.9
[M+NH4]+ 217.91746 146.6
[M+K]+ 238.84680 121.3
[M+H-H2O]+ 182.88090 133.3
[M+HCOO]- 244.88184 139.8
[M+CH3COO]- 258.89749 190.5
[M+Na-2H]- 220.85831 133.6
[M]+ 199.88309 157.4
[M]- 199.88419 157.4
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