CID 155301

Hexanoic acid, 2-(dibromomethylene)-

Structural Information

Molecular Formula
C7H10Br2O2
SMILES
CCCCC(=C(Br)Br)C(=O)O
InChI
InChI=1S/C7H10Br2O2/c1-2-3-4-5(6(8)9)7(10)11/h2-4H2,1H3,(H,10,11)
InChIKey
UCMKMXBMPRBGRH-UHFFFAOYSA-N
Compound name
2-(dibromomethylidene)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.90475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.91203 143.5
[M+Na]+ 306.89397 152.7
[M-H]- 282.89747 146.2
[M+NH4]+ 301.93857 162.2
[M+K]+ 322.86791 136.8
[M+H-H2O]+ 266.90201 151.1
[M+HCOO]- 328.90295 156.2
[M+CH3COO]- 342.91860 200.1
[M+Na-2H]- 304.87942 147.1
[M]+ 283.90420 176.1
[M]- 283.90530 176.1
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

No patent data available for this compound.