CID 5373890

26631-70-9

Structural Information

Molecular Formula
C4H4Br2O2
SMILES
COC(=O)/C(=C/Br)/Br
InChI
InChI=1S/C4H4Br2O2/c1-8-4(7)3(6)2-5/h2H,1H3/b3-2-
InChIKey
CBTTXLCKHFLDPW-IHWYPQMZSA-N
Compound name
methyl (Z)-2,3-dibromoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

241.8578 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.86508 128.5
[M+Na]+ 264.84702 139.5
[M-H]- 240.85052 132.9
[M+NH4]+ 259.89162 149.3
[M+K]+ 280.82096 124.8
[M+H-H2O]+ 224.85506 136.8
[M+HCOO]- 286.85600 144.2
[M+CH3COO]- 300.87165 194.2
[M+Na-2H]- 262.83247 135.3
[M]+ 241.85725 162.4
[M]- 241.85835 162.4
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