CID 689070

332104-57-1

Structural Information

Molecular Formula
C13H7BrCl2O2
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C(=CC(=C2)Cl)Br)O)Cl
InChI
InChI=1S/C13H7BrCl2O2/c14-10-6-7(15)5-9(13(10)18)12(17)8-3-1-2-4-11(8)16/h1-6,18H
InChIKey
YDOASFSKJSZNAO-UHFFFAOYSA-N
Compound name
(3-bromo-5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

343.90063 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.90791 159.4
[M+Na]+ 366.88985 173.7
[M-H]- 342.89335 167.5
[M+NH4]+ 361.93445 177.8
[M+K]+ 382.86379 159.0
[M+H-H2O]+ 326.89789 160.7
[M+HCOO]- 388.89883 170.6
[M+CH3COO]- 402.91448 202.5
[M+Na-2H]- 364.87530 163.7
[M]+ 343.90008 181.0
[M]- 343.90118 181.0
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