CID 9834632

6-bromo-2,3,4-trifluorobenzaldehyde

Structural Information

Molecular Formula
C7H2BrF3O
SMILES
C1=C(C(=C(C(=C1Br)C=O)F)F)F
InChI
InChI=1S/C7H2BrF3O/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1-2H
InChIKey
BXXUAIPEOHAIKN-UHFFFAOYSA-N
Compound name
6-bromo-2,3,4-trifluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

237.9241 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.93138 136.0
[M+Na]+ 260.91332 151.2
[M-H]- 236.91682 139.8
[M+NH4]+ 255.95792 158.1
[M+K]+ 276.88726 139.4
[M+H-H2O]+ 220.92136 134.5
[M+HCOO]- 282.92230 155.9
[M+CH3COO]- 296.93795 189.4
[M+Na-2H]- 258.89877 141.6
[M]+ 237.92355 152.4
[M]- 237.92465 152.4
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