CID 10041180

3-(bromomethyl)benzoic acid n-succinimidylester

Structural Information

Molecular Formula
C12H10BrNO4
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=CC(=C2)CBr
InChI
InChI=1S/C12H10BrNO4/c13-7-8-2-1-3-9(6-8)12(17)18-14-10(15)4-5-11(14)16/h1-3,6H,4-5,7H2
InChIKey
BHXBPWLMEXGVCV-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(bromomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

310.9793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98658 159.0
[M+Na]+ 333.96852 170.3
[M-H]- 309.97202 167.1
[M+NH4]+ 329.01312 177.8
[M+K]+ 349.94246 159.9
[M+H-H2O]+ 293.97656 158.2
[M+HCOO]- 355.97750 178.7
[M+CH3COO]- 369.99315 198.1
[M+Na-2H]- 331.95397 161.7
[M]+ 310.97875 178.5
[M]- 310.97985 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe