CID 13571662

1,2-dibromo-3,3-dimethyl-1-butene

Structural Information

Molecular Formula
C6H10Br2
SMILES
CC(C)(C)/C(=C/Br)/Br
InChI
InChI=1S/C6H10Br2/c1-6(2,3)5(8)4-7/h4H,1-3H3/b5-4-
InChIKey
JDGBPINHTJNHMH-PLNGDYQASA-N
Compound name
(Z)-1,2-dibromo-3,3-dimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.91493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92221 136.0
[M+Na]+ 262.90415 147.0
[M-H]- 238.90765 140.4
[M+NH4]+ 257.94875 157.2
[M+K]+ 278.87809 131.5
[M+H-H2O]+ 222.91219 144.7
[M+HCOO]- 284.91313 150.2
[M+CH3COO]- 298.92878 196.1
[M+Na-2H]- 260.88960 143.0
[M]+ 239.91438 168.9
[M]- 239.91548 168.9
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