CID 108277654

2138041-85-5

Structural Information

Molecular Formula
C11H13BrClNO
SMILES
C1COCCN1C2=C(C=C(C=C2)CCl)Br
InChI
InChI=1S/C11H13BrClNO/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKey
VHOLNFMNBMZZSP-UHFFFAOYSA-N
Compound name
4-[2-bromo-4-(chloromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9869 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.99418 155.5
[M+Na]+ 311.97612 166.1
[M-H]- 287.97962 163.2
[M+NH4]+ 307.02072 173.1
[M+K]+ 327.95006 154.7
[M+H-H2O]+ 271.98416 155.0
[M+HCOO]- 333.98510 167.9
[M+CH3COO]- 348.00075 169.1
[M+Na-2H]- 309.96157 161.9
[M]+ 288.98635 173.3
[M]- 288.98745 173.3
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

No patent data available for this compound.