CID 2782772

2,4-dibromo-3-(difluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H4Br2F2O3
SMILES
C1=CC(=C(C(=C1C(=O)O)Br)OC(F)F)Br
InChI
InChI=1S/C8H4Br2F2O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14)
InChIKey
MYABBCIHLRGMEC-UHFFFAOYSA-N
Compound name
2,4-dibromo-3-(difluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

343.84952 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.85680 149.8
[M+Na]+ 366.83874 160.8
[M-H]- 342.84224 153.7
[M+NH4]+ 361.88334 166.8
[M+K]+ 382.81268 145.3
[M+H-H2O]+ 326.84678 156.0
[M+HCOO]- 388.84772 162.5
[M+CH3COO]- 402.86337 207.7
[M+Na-2H]- 364.82419 153.1
[M]+ 343.84897 182.3
[M]- 343.85007 182.3
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

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